data_2kdc_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 2kdc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.087 0.47 . . . . 1.0 110.201 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.421 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 36.5 t-20 -107.79 43.31 1.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.915 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 18.2 tt0 164.59 -70.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.474 0.484 . . . . 1.0 110.229 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.0 2.51 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.426 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.64 -30.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.816 0.341 . . . . 1.0 111.44 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.49 -48.64 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 1.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.73 66.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.146 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 33' ' ' GLN . 1.5 tm0? -59.38 -59.5 5.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.529 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -47.72 -22.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.07 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.74 -53.49 1.53 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.68 -0.568 . . . . 1.0 111.68 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.3 -45.17 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.605 0.24 . . . . 1.0 110.601 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.62 -60.1 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 96.5 t -38.44 -19.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.3 tp -87.24 -52.77 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.45 -0.945 . . . . 1.0 108.45 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ALA . 13.9 mt -66.98 -36.13 81.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.819 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.2 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.418 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 22.8 t -83.11 -38.01 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.905 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.0 t -51.84 -48.08 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.468 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.49 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.779 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.53 -43.59 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 1.0 110.373 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.84 -48.69 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.74 -45.93 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.043 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 tp -173.36 132.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -157.61 108.42 2.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -154.91 51.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 114' ' ' ILE . 6.2 m-20 -84.29 -172.2 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' C' ' 53' ' ' ILE . . . -82.98 2.92 32.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' B' ' 52' ' ' ALA . 3.8 mt 69.51 -2.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.164 0.507 . . . . 1.0 110.41 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 52' ' ' ALA . 9.0 m -43.69 -37.94 2.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' ' OG1' ' C' ' 111' ' ' THR . 37.6 ttt180 -48.12 -39.28 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 1.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.44 -43.77 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.661 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.55 -55.71 12.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.496 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.34 -43.07 64.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' MET . 96.6 mt -67.66 -54.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.749 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.7 -43.9 47.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.089 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.4 m -64.06 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 1.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.23 -28.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ILE . 39.7 ttp -58.75 -30.19 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.02 -41.35 96.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.11 -39.06 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.264 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 34.7 mtt -54.32 -49.91 68.58 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.519 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -22.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.11 -0.636 . . . . 1.0 109.678 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 5.7 t -91.32 -27.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.756 0.312 . . . . 1.0 110.601 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' O ' ' OG ' ' A' ' 73' ' ' SER . 56.7 mt-10 -97.28 -55.54 2.81 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.025 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' SER . 15.5 mt -63.97 -59.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.87 -36.81 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.903 -0.719 . . . . 1.0 109.608 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 9.8 m-20 -69.62 -10.92 60.18 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 m -90.56 -51.62 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.35 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.0 -51.43 68.08 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 76' ' ' GLU . 15.3 tt -49.74 -45.88 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.554 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 80' ' ' ASP . 65.8 tt0 -80.72 -22.86 39.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.973 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.14 -53.93 52.71 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.452 -0.499 . . . . 1.0 110.3 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.97 -32.63 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 1.0 109.433 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.82 -24.06 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.783 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 t0 -78.17 -103.55 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 85.1 mtt-85 -98.43 -10.51 23.55 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.6 tt 34.23 98.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.14 0.495 . . . . 1.0 111.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.09 56.83 0.5 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.731 -0.948 . . . . 1.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p -54.73 170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.0 110.674 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.5 161.44 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.17 -19.13 34.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.53 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.62 -26.06 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.062 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -44.6 121.99 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 1.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER 177.64 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.97 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.1 p -70.52 39.74 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.45 169.06 0.06 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.599 -1.0 . . . . 1.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.0 25.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.235 0.54 . . . . 1.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.34 63.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.6 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.62 -27.56 67.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.733 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.474 ' CG ' ' HG ' ' B' ' 73' ' ' SER . 10.2 t0 -44.73 -37.8 3.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.923 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -71.89 -45.67 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.968 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.05 -36.7 93.33 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.64 -32.6 8.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.775 0.322 . . . . 1.0 111.047 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.08 -46.63 10.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -56.88 -20.68 24.43 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.884 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.7 -58.28 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.32 -49.99 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.452 -0.499 . . . . 1.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 35.1 pt -79.13 -25.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . -40.85 -44.54 2.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.007 0.432 . . . . 1.0 109.918 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.09 -38.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.536 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 17.7 mt -74.92 -63.76 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.945 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 109' ' ' VAL . 0.8 OUTLIER -48.71 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.951 -178.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.489 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.54 -32.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.952 0.406 . . . . 1.0 111.392 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.9 t -89.27 -75.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.6 mm -50.23 -33.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.525 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.468 ' OG1' ' NH2' ' B' ' 55' ' ' ARG . 3.5 t -58.95 -44.13 91.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.442 ' N ' ' CG2' ' A' ' 111' ' ' THR . 47.3 t90 -76.34 -29.11 57.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.31 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.32 -58.38 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.921 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.421 ' O ' ' OD1' ' B' ' 51' ' ' ASP . 2.3 pp -62.7 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.891 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 tp -57.55 -37.29 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.56 -41.57 96.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.743 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.04 -20.4 16.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.154 0.502 . . . . 1.0 109.743 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 m -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.02 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -62.85 -37.62 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.53 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.059 0.456 . . . . 1.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.83 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 36.4 t-20 -107.83 43.33 1.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.923 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 18.1 tt0 164.52 -70.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.526 0.516 . . . . 1.0 110.298 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' B' ' 33' ' ' GLN . . . -77.05 2.65 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.389 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.75 -30.33 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.777 0.323 . . . . 1.0 111.448 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.51 -48.62 7.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.199 0.524 . . . . 1.0 110.793 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.79 66.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.443 ' C ' ' NE2' ' B' ' 33' ' ' GLN . 1.5 tm0? -59.32 -59.57 5.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.512 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -47.72 -22.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.086 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.81 -53.44 1.53 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.671 -0.572 . . . . 1.0 111.671 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.33 -45.11 18.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.557 0.217 . . . . 1.0 110.634 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.62 -60.16 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 95.8 t -38.35 -19.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.388 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.6 tp -87.28 -52.71 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 37' ' ' ALA . 13.9 mt -66.97 -36.15 81.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.17 62.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.397 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 22.6 t -83.17 -37.98 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.81 -48.16 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.399 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.422 HD11 HG21 ' B' ' 44' ' ' ILE . 61.8 mt -74.53 -46.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.765 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.73 55.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.336 . . . . 1.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 69.0 m -57.83 -48.68 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.63 -46.12 39.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.976 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 53.1 tp -173.25 132.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.258 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -157.39 108.4 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -154.96 51.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 114' ' ' ILE . 6.1 m-20 -84.41 -172.29 4.09 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' ILE . . . -82.86 2.9 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' C' ' 52' ' ' ALA . 3.8 mt 69.46 -2.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.203 0.525 . . . . 1.0 110.417 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 52' ' ' ALA . 9.2 m -43.83 -37.87 3.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.468 ' NH2' ' OG1' ' A' ' 111' ' ' THR . 37.3 ttt180 -48.17 -39.18 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 1.0 110.608 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.47 -43.84 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.692 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -49.56 -55.68 12.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.214 -0.594 . . . . 1.0 110.452 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.36 -43.05 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.934 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 63' ' ' MET . 96.6 mt -67.7 -54.9 19.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.735 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' B' ' 61' ' ' SER . 83.9 p -49.8 -43.82 48.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.123 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.544 ' N ' ' HG ' ' B' ' 60' ' ' SER . 74.6 m -64.05 -63.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 1.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.26 -28.25 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.476 ' N ' ' O ' ' B' ' 59' ' ' ILE . 39.8 ttp -58.63 -30.25 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.11 -41.32 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.704 -0.851 . . . . 1.0 108.704 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.17 -38.97 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.261 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.7 mtt -54.33 -49.89 68.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.571 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -22.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.657 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 5.6 t -91.27 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.592 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.442 ' O ' ' OG ' ' B' ' 73' ' ' SER . 56.6 mt-10 -97.16 -55.7 2.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.53 -0.304 . . . . 1.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 15.3 mt -63.88 -59.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.076 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.85 -36.78 49.56 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.633 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 9.9 m-20 -69.56 -10.97 60.37 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.4 m -90.57 -51.64 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.242 -0.89 . . . . 1.0 109.36 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -51.57 67.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.821 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 15.2 tt -49.6 -45.99 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.512 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 80' ' ' ASP . 65.4 tt0 -80.64 -22.9 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.977 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.14 -53.99 51.98 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.189 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.92 -32.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.473 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -85.73 -24.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.834 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.9 t0 -78.21 -103.58 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.16 0.429 . . . . 1.0 112.16 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 82' ' ' ILE . 85.0 mtt-85 -98.4 -10.54 23.58 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.819 0.303 . . . . 1.0 111.819 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.6 tt 34.31 98.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 121.061 0.458 . . . . 1.0 111.601 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.11 56.82 0.5 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.58 170.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.321 . . . . 1.0 110.74 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.42 161.42 14.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.23 -19.0 34.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.507 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.75 -26.01 56.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.035 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.45 121.96 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.682 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER 177.6 -44.02 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.992 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.9 p -70.53 39.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 55.39 169.1 0.06 OUTLIER Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.588 -1.005 . . . . 1.0 110.588 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -87.33 -21.99 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.096 0.474 . . . . 1.0 109.773 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -51.46 63.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.647 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.52 -27.54 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.79 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.81 -37.76 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.885 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.5 ' O ' ' SD ' ' B' ' 96' ' ' MET . 0.1 OUTLIER -71.98 -45.56 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.581 -0.448 . . . . 1.0 109.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.73 93.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -48.56 -32.63 8.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.729 0.3 . . . . 1.0 111.031 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.17 -46.61 10.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -56.84 -20.68 24.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.934 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 20.4 t -66.69 -58.32 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.31 -50.01 65.84 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.45 -0.5 . . . . 1.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' B' ' 106' ' ' ILE . 35.2 pt -79.07 -25.92 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -40.89 -44.56 2.33 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 67.9 mt -69.07 -38.46 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.504 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' B' ' 103' ' ' ILE . 17.6 mt -74.92 -63.9 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 109' ' ' VAL . 0.8 OUTLIER -48.71 -70.2 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.911 -178.095 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.483 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.44 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.946 0.403 . . . . 1.0 111.363 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.4 t -89.24 -75.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.771 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 mm -50.18 -33.82 10.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.574 -0.285 . . . . 1.0 111.56 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.468 ' OG1' ' CZ ' ' C' ' 55' ' ' ARG . 3.5 t -59.11 -44.0 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.475 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . 0.441 ' N ' ' CG2' ' B' ' 111' ' ' THR . 47.1 t90 -76.3 -29.14 57.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.312 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.31 -58.28 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.024 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.424 ' O ' ' OD1' ' C' ' 51' ' ' ASP . 2.3 pp -62.82 -42.58 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.933 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.5 tp -57.67 -37.06 72.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.79 -41.45 95.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.78 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -56.13 -20.4 17.39 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 8.8 m -57.61 -29.32 64.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.027 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.84 -37.7 87.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.552 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.056 0.455 . . . . 1.0 110.152 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.66 -13.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' C' ' 27' ' ' ASN . 36.4 t-20 -107.75 43.27 1.22 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.847 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' C' ' 27' ' ' ASN . 18.4 tt0 164.56 -70.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.443 0.465 . . . . 1.0 110.248 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 2.6 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.458 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.79 -30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.811 0.338 . . . . 1.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.62 -48.62 7.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.471 . . . . 1.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.74 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 1.0 110.12 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' C ' ' C' ' 33' ' ' GLN . 1.5 tm0? -59.45 -59.5 5.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.454 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -47.76 -22.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.042 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.8 -53.43 1.53 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.719 -0.552 . . . . 1.0 111.719 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.4 -45.08 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.491 0.186 . . . . 1.0 110.588 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.6 -60.09 4.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 95.2 t -38.51 -19.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.426 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.2 tp -87.23 -52.68 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.498 -0.927 . . . . 1.0 108.498 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' C' ' 37' ' ' ALA . 13.9 mt -67.06 -36.15 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.175 -0.92 . . . . 1.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.55 -24.11 62.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.421 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 22.8 t -83.19 -38.05 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.903 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.68 -48.18 37.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.432 HD11 HG21 ' C' ' 44' ' ' ILE . 62.3 mt -74.52 -46.06 43.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.728 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.61 55.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.411 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -48.8 -45.94 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.039 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 52.8 tp -173.3 132.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.335 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -157.54 108.47 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.425 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.94 51.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.788 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 114' ' ' ILE . 6.1 m-20 -84.29 -172.27 4.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' B' ' 53' ' ' ILE . . . -82.88 2.87 32.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.58 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.8 mt 69.49 -2.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.501 . . . . 1.0 110.374 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' THR . . . . . 0.409 ' H ' ' C ' ' C' ' 52' ' ' ALA . 8.9 m -43.66 -37.99 2.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.06 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.468 ' CZ ' ' OG1' ' B' ' 111' ' ' THR . 37.2 ttt180 -48.12 -39.32 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.01 0.433 . . . . 1.0 110.583 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.29 -43.91 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 1.0 111.655 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -49.62 -55.66 12.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.466 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.33 -43.04 64.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' C' ' 63' ' ' MET . 96.6 mt -67.76 -54.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.79 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.69 -43.91 47.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.156 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 74.3 m -64.05 -63.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.344 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.11 -28.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.627 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.444 ' N ' ' O ' ' C' ' 59' ' ' ILE . 39.8 ttp -58.68 -30.24 67.22 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.11 -41.34 96.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -67.11 -38.98 82.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.249 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.471 ' O ' ' N ' ' C' ' 70' ' ' ILE . 34.7 mtt -54.47 -49.83 69.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.511 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -22.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.073 -0.651 . . . . 1.0 109.689 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 5.6 t -91.3 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.736 0.303 . . . . 1.0 110.639 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' C' ' 73' ' ' SER . 56.6 mt-10 -97.17 -55.63 2.79 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.029 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' C' ' 73' ' ' SER . 15.5 mt -63.96 -59.3 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.04 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.82 -36.76 49.14 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.645 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 9.8 m-20 -69.68 -10.88 60.02 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.53 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.4 m -90.49 -51.71 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.415 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.56 67.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.834 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' C' ' 76' ' ' GLU . 15.2 tt -49.63 -46.0 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.512 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 80' ' ' ASP . 65.9 tt0 -80.61 -22.89 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.17 -53.95 52.47 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.259 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.96 -32.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.71 -24.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.711 . . . . 1.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 t0 -78.1 -103.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 82' ' ' ILE . 85.2 mtt-85 -98.47 -10.57 23.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.6 tt 34.43 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.086 0.47 . . . . 1.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.0 56.85 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.72 170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 1.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.41 161.4 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.672 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.21 -19.12 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.484 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.7 -26.05 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.56 122.04 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 1.0 110.645 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.8 OUTLIER 177.58 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.033 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 22.2 p -70.49 39.64 0.05 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.46 169.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.01 25.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 1.0 109.792 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.43 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.688 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -66.49 -27.67 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.675 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.73 -37.83 4.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' C' ' 96' ' ' MET . 0.1 OUTLIER -71.9 -45.53 60.93 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.028 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.78 93.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.49 -32.69 8.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 111.108 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.12 -46.59 10.3 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.144 -0.688 . . . . 1.0 109.144 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -56.95 -20.66 24.82 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.859 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.76 -58.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.46 -49.85 66.55 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.149 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' C' ' 106' ' ' ILE . 35.4 pt -79.02 -25.93 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' C' ' 100' ' ' ALA . . . -40.96 -44.53 2.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -38.56 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.893 -0.594 . . . . 1.0 109.521 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' C' ' 103' ' ' ILE . 17.8 mt -74.92 -63.81 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.864 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 0.8 OUTLIER -48.9 -70.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.944 -178.048 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.489 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.42 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.927 0.394 . . . . 1.0 111.326 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 44.0 t -89.26 -75.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.811 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 20.8 mm -50.34 -33.74 10.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.595 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.47 ' OG1' ' NH2' ' A' ' 55' ' ' ARG . 3.5 t -58.99 -44.13 91.58 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.464 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . 0.451 ' N ' ' CG2' ' C' ' 111' ' ' THR . 46.8 t90 -76.33 -29.12 57.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.29 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 13.2 t -65.34 -58.33 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 2.3 pp -62.73 -42.68 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.86 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 tp -57.68 -37.03 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.88 -41.39 95.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.738 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.19 -20.39 17.79 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 8.4 m -57.57 -29.36 64.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.012 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.71 -37.86 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.671 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.26 141.63 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.497 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 118.019 -1.434 . . . . 1.0 110.932 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 120.849 0.357 . . . . 1.0 110.506 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.652 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.2 -61.99 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.456 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.4 mm-40 -126.83 -48.38 1.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.657 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -57.79 -2.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -39.15 -22.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.259 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 29.6 p90 -84.73 -42.75 14.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 1.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 68.1 ttt180 -62.42 -33.07 74.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.65 -64.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 1.0 109.234 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -44.54 -35.18 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.518 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.55 -58.44 8.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.4 t -49.13 -35.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.502 -0.349 . . . . 1.0 110.108 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -7.26 15.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.749 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.59 -24.09 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.331 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.95 -62.56 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.752 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -42.37 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.51 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.91 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.968 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.94 -41.56 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.31 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 72.3 t -50.18 -44.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 1.0 110.278 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 pt -74.04 -43.13 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.341 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.35 -46.48 72.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.666 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.86 -48.6 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 10.8 m0 -54.06 -35.22 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.14 103.15 0.37 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.18 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.28 102.0 11.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.944 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 m -150.87 23.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.4 102.08 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.4 -23.3 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.042 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.9 -40.07 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -78.87 -47.9 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.408 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -52.93 -47.54 52.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.378 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -48.62 44.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.73 -52.14 33.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.22 -34.59 67.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.0 110.434 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -57.2 -56.26 24.09 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.139 -0.689 . . . . 1.0 109.139 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.42 -52.48 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.43 -48.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.046 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.11 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.564 -0.454 . . . . 1.0 109.969 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.78 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.298 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.08 -33.25 62.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.39 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -49.64 -27.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.045 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -82.73 -43.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.339 . . . . 1.0 111.224 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 72' ' ' ASN . 11.7 mm-40 -91.15 -74.69 0.49 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.4 mp -36.73 -55.89 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.507 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -49.15 -41.75 37.34 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.688 -0.805 . . . . 1.0 110.057 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' GLU . 12.4 m-20 -76.08 -10.89 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 1.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 6.5 p -89.8 -55.97 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.292 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.16 -52.66 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.573 -0.74 . . . . 1.0 109.758 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -51.06 -49.09 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.77 -27.2 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.849 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.37 -51.17 70.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.667 -0.413 . . . . 1.0 109.973 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.33 -31.25 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.696 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.56 -24.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.062 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -82.6 -111.3 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.741 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 82' ' ' ILE . 93.7 mtt-85 -105.95 -36.71 6.89 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.882 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.3 tt 36.42 97.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.343 0.592 . . . . 1.0 111.298 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.36 -144.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 1.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.85 178.99 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 49.2 t80 -83.86 -16.04 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.763 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.621 ' H ' ' HD1' ' A' ' 87' ' ' HIS . 1.3 m80 -79.51 -10.79 59.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -76.17 27.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.396 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 mp -106.99 -22.63 12.6 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.442 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 10.3 m -69.4 35.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.115 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.23 170.46 0.03 OUTLIER Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.619 -0.992 . . . . 1.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -88.77 -20.43 24.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 1.0 109.846 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -51.14 63.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.667 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.12 -29.8 69.64 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.148 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.9 mtt -74.13 -45.15 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.464 -0.494 . . . . 1.0 109.837 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.43 -39.07 96.78 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.1 t -49.25 -27.61 3.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.0 110.571 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.16 -45.63 10.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.89 41.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.76 -62.45 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.721 0.296 . . . . 1.0 111.714 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.85 -47.69 64.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.2 0.524 . . . . 1.0 111.023 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 106' ' ' ILE . 13.4 pt -73.09 -21.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.145 -0.622 . . . . 1.0 110.903 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -37.1 -49.6 0.88 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.91 0.386 . . . . 1.0 110.646 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 tt -70.12 -38.87 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 103' ' ' ILE . 28.6 mt -68.52 -35.33 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.741 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 109' ' ' VAL . 61.3 t -65.24 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.49 -28.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.539 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 107' ' ' VAL . 48.5 t -92.63 -83.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.716 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.408 HG22 HD13 ' A' ' 110' ' ' ILE . 34.8 mm -45.18 -34.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.041 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -62.46 -41.17 98.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.45 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -68.81 -26.33 65.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.458 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.8 -58.85 5.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.421 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -40.3 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.624 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.38 -42.6 78.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.543 -0.539 . . . . 1.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.67 -42.25 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.28 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -49.26 -24.91 2.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -26.71 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.09 -12.68 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.549 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.73 0.3 . . . . 1.0 110.523 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.15 -62.04 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.438 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' B' ' 30' ' ' ALA . 14.3 mm-40 -126.82 -48.28 1.51 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -57.84 -2.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -39.18 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.319 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 29.8 p90 -84.65 -42.88 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.182 0.515 . . . . 1.0 110.061 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 69.0 ttt180 -62.4 -33.03 73.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.427 -0.806 . . . . 1.0 109.825 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.63 -64.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.202 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -44.57 -35.1 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.528 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.67 -58.34 8.59 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.8 t -49.14 -35.21 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.364 . . . . 1.0 110.124 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -7.23 15.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.64 -24.06 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.412 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.88 -62.58 1.44 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -42.49 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.512 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.87 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -81.99 -41.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.268 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' B' ' 47' ' ' TRP . 72.1 t -50.08 -44.45 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.389 . . . . 1.0 110.349 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.9 pt -74.14 -43.07 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.356 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.53 72.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.87 -48.6 78.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 0.438 ' CD1' ' O ' ' B' ' 43' ' ' VAL . 10.7 m0 -54.14 -35.16 61.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.362 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.18 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.127 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.24 102.0 11.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.002 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.85 23.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.117 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.23 102.07 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.68 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.56 -87.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 1.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 pt -135.51 -23.17 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.055 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -40.0 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -78.92 -47.87 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.397 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 t -52.86 -47.59 51.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.354 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.22 -48.59 45.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.75 -52.07 34.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.22 -34.63 67.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.975 0.417 . . . . 1.0 110.388 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -57.33 -56.06 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.33 -52.58 57.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.973 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.2 t -56.45 -48.57 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.998 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.03 -47.88 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.555 -0.458 . . . . 1.0 109.977 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.79 -48.81 77.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.06 -33.31 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.685 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.17 -50.53 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.5 mt -49.61 -27.62 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.068 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.85 -43.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 72' ' ' ASN . 11.8 mm-40 -91.06 -74.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 73' ' ' SER . 1.4 mp -36.68 -55.93 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.517 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.93 -42.06 35.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.738 -0.785 . . . . 1.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 69' ' ' GLU . 12.1 m-20 -75.9 -10.95 59.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 1.0 110.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' B' ' 74' ' ' ALA . 6.6 p -89.71 -56.02 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.3 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.495 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.2 -52.62 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.762 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -51.06 -48.98 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.726 -0.842 . . . . 1.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -69.91 -27.23 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.24 -51.23 70.65 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.057 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.36 -31.28 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.49 -24.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.143 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.51 -111.42 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' B' ' 82' ' ' ILE . 93.4 mtt-85 -105.9 -36.6 6.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.908 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.3 tt 36.47 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.307 0.575 . . . . 1.0 111.304 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.35 -144.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.764 0.316 . . . . 1.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.85 178.97 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.66 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' B' ' 86' ' ' TYR . 49.1 t80 -83.88 -15.99 46.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.656 ' HD1' ' H ' ' B' ' 87' ' ' HIS . 1.4 m80 -79.49 -10.88 59.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.88 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -76.11 27.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.545 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 mp -106.99 -22.74 12.57 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.452 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 9.6 m -69.31 35.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 1.0 111.216 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.27 170.47 0.03 OUTLIER Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.61 -20.59 24.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.084 0.469 . . . . 1.0 109.957 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.17 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.635 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -67.29 -29.72 69.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.99 -38.64 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.143 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.21 -45.03 50.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.882 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.09 96.85 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 30.8 t -49.3 -27.56 3.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.322 . . . . 1.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.04 -45.63 10.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -21.77 42.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.666 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.74 -62.42 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.74 0.305 . . . . 1.0 111.696 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.88 -47.65 64.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.211 0.529 . . . . 1.0 111.066 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 106' ' ' ILE . 13.3 pt -73.16 -21.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.919 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.93 -49.71 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.025 0.441 . . . . 1.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.1 tt -70.08 -38.88 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.106 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 103' ' ' ILE . 28.7 mt -68.47 -35.45 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.728 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 109' ' ' VAL . 61.3 t -65.08 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.929 0.395 . . . . 1.0 110.018 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.52 -28.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.501 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' B' ' 107' ' ' VAL . 48.6 t -92.74 -83.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.656 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.13 -34.92 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.043 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 19.4 m -62.41 -41.2 98.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.461 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -68.8 -26.34 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 60.2 m -64.72 -58.94 4.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.461 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.62 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.39 -42.54 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.73 -42.28 67.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.29 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -49.11 -25.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.635 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.04 -12.65 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.658 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.507 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.827 0.346 . . . . 1.0 110.506 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.21 -13.37 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.621 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.16 -61.93 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.442 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' C' ' 30' ' ' ALA . 14.4 mm-40 -126.92 -48.27 1.49 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -57.81 -2.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.769 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -39.08 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.316 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 29.5 p90 -84.73 -42.83 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.18 0.514 . . . . 1.0 109.994 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 68.9 ttt180 -62.48 -33.02 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.7 -64.26 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' C' ' 34' ' ' GLU . 0.2 OUTLIER -44.58 -35.11 2.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.564 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.59 -58.42 8.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.1 -35.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.458 -0.371 . . . . 1.0 110.17 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -7.35 15.92 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.57 -24.13 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.34 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.87 -62.66 1.42 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.705 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.53 -42.41 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.524 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.84 76.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -82.01 -41.58 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.272 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' C' ' 47' ' ' TRP . 71.4 t -50.06 -44.52 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 1.0 110.366 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 pt -73.98 -43.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.383 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.49 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.8 -48.68 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.494 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' C' ' 43' ' ' VAL . 10.8 m0 -53.98 -35.33 61.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.339 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.17 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.119 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.33 102.04 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.949 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.92 23.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.059 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.34 102.09 3.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.48 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 pt -135.47 -23.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.89 -40.14 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -78.89 -47.82 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.416 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 t -52.87 -47.68 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.09 -48.68 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.72 -52.01 34.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.28 -34.66 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 120.906 0.384 . . . . 1.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.1 m -57.12 -56.24 24.31 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.203 -0.665 . . . . 1.0 109.203 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 36.2 t -64.52 -52.42 57.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' C' ' 66' ' ' MET . 78.9 t -56.55 -48.59 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.003 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -57.99 -47.82 81.85 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.011 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.77 -48.77 77.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.17 -33.17 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.4 ' N ' ' O ' ' C' ' 62' ' ' VAL . 23.1 mtt -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -49.59 -27.58 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.056 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.85 -43.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 1.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 72' ' ' ASN . 11.8 mm-40 -90.99 -74.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.035 -0.357 . . . . 1.0 110.035 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' C' ' 73' ' ' SER . 1.4 mp -36.69 -55.94 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.692 -0.686 . . . . 1.0 110.469 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -49.12 -41.83 37.25 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.664 -0.814 . . . . 1.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 69' ' ' GLU . 12.4 m-20 -75.91 -10.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' C' ' 74' ' ' ALA . 7.0 p -89.77 -55.96 3.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.356 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.17 -52.68 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.722 . . . . 1.0 109.718 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.97 -49.19 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.81 -27.14 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.805 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.4 -51.24 70.64 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.33 -31.23 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-N 115.526 -0.761 . . . . 1.0 109.678 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.57 -24.22 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.111 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.49 -111.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.708 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 82' ' ' ILE . 93.3 mtt-85 -105.84 -36.76 6.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.936 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.3 tt 36.48 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.304 0.573 . . . . 1.0 111.354 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.3 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.11 100.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 1.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.86 179.0 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 49.3 t80 -83.83 -16.03 46.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.646 ' H ' ' HD1' ' C' ' 87' ' ' HIS . 1.3 m80 -79.56 -10.8 59.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -76.18 27.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.945 0.402 . . . . 1.0 110.446 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 mp -107.02 -22.63 12.59 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.48 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 91' ' ' GLY . 10.4 m -69.34 35.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.28 170.44 0.03 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.75 -20.46 24.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.025 0.441 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.07 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.641 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.26 -29.73 69.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.794 -0.362 . . . . 1.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.03 -38.64 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.164 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 30.2 mtt -74.13 -45.08 51.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.446 -0.502 . . . . 1.0 109.882 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.98 96.72 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.211 -1.156 . . . . 1.0 110.211 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -27.63 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 1.0 110.625 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.0 -45.69 10.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.67 -21.76 42.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.608 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.76 -62.48 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.698 0.285 . . . . 1.0 111.685 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.84 -47.72 64.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.208 0.528 . . . . 1.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 106' ' ' ILE . 13.3 pt -73.07 -21.35 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.861 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -37.04 -49.58 0.85 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.022 0.439 . . . . 1.0 110.672 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 16.1 tt -70.17 -38.93 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.004 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' C' ' 103' ' ' ILE . 28.3 mt -68.4 -35.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.769 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' C' ' 109' ' ' VAL . 60.5 t -65.12 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.56 -28.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.54 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' C' ' 107' ' ' VAL . 48.7 t -92.67 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.7 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.19 -34.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.006 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 19.3 m -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -68.91 -26.29 65.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.423 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.73 -58.93 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.45 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.27 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.635 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.38 -42.64 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.72 -42.26 67.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.245 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -49.07 -24.93 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.629 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -68.1 -12.72 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.568 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 75.8 t80 -55.83 170.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.01 -1.439 . . . . 1.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 111.804 0.298 . . . . 1.0 111.804 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.89 -30.26 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.86 0.362 . . . . 1.0 110.177 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.19 44.13 1.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.811 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -179.9 -86.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.043 0.449 . . . . 1.0 110.669 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -70.35 4.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ALA . . . -36.13 -32.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.707 0.289 . . . . 1.0 111.709 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ALA . 37.6 t80 -95.72 -43.18 8.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.882 0.372 . . . . 1.0 111.089 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.9 -27.51 67.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 1.0 109.531 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.0 tp60 -59.97 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.049 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -41.98 -22.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.551 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.62 -48.32 3.0 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.248 -0.741 . . . . 1.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.95 -41.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.315 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -57.01 -62.92 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -35.22 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.528 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -89.91 -49.76 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 70.6 mt -65.04 -35.49 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.749 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.2 63.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -78.72 -38.6 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.693 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -49.49 -47.91 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.193 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -74.25 -44.18 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.31 -48.77 46.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.675 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.36 -46.18 89.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.54 -49.07 79.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.432 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.26 101.77 4.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.295 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.64 96.58 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.663 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 51' ' ' ASP . 47.6 t -147.53 -98.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.397 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' VAL . 4.6 p-10 40.24 95.27 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.762 0.315 . . . . 1.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.71 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.769 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -49.1 -28.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.205 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.12 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.101 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -79.91 -48.08 14.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.77 -37.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.041 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.02 -46.07 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.22 -51.11 56.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.438 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 77.2 mt -66.02 -53.56 36.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.058 0.456 . . . . 1.0 110.148 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 m -46.42 -50.54 16.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.069 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.5 t -64.18 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.689 0.281 . . . . 1.0 111.688 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.8 -32.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.156 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 63' ' ' MET . 10.9 tmm? -62.03 -42.07 98.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.593 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.72 -50.71 63.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.952 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 93.7 t -60.86 -36.63 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.869 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLU . 19.8 mtt -57.32 -49.99 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.045 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.7 mt -44.34 -24.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 1.0 110.154 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.68 -31.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 1.0 111.254 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -95.22 -47.92 6.14 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.095 0.405 . . . . 1.0 112.095 -178.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.0 pt -69.86 -50.83 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 70' ' ' ILE . 5.8 tp -49.91 -40.76 44.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.358 -0.537 . . . . 1.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.435 HD21 ' H ' ' C' ' 85' ' ' GLU . 4.5 m120 -75.36 -12.48 60.27 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.8 t -89.92 -56.33 3.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.064 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.87 65.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.117 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 76' ' ' GLU . 11.3 tt -51.16 -43.41 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.625 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 84.1 mt-10 -80.95 -23.66 38.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.583 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.85 -52.88 63.64 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.983 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -53.37 -31.67 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.8 t -85.27 -24.01 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.677 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.5 m-20 -77.36 -103.82 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.024 0.379 . . . . 1.0 112.024 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 82' ' ' ILE . 63.1 mtp180 -100.37 -8.84 22.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.669 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.0 tt 34.4 99.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 1.0 111.846 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -133.67 -69.22 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.45 -1.06 . . . . 1.0 110.45 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.5 m 42.07 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.97 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' H ' HD21 ' B' ' 72' ' ' ASN . 87.4 mt-10 -51.15 127.44 19.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.51 -16.11 46.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.727 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.4 m-70 -76.09 -63.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.536 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' HIS . 8.8 pt-20 26.54 47.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.636 0.585 . . . . 1.0 112.339 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.589 ' CD2' ' H ' ' A' ' 89' ' ' LEU . 1.5 pt? -103.72 -22.09 13.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.625 0.25 . . . . 1.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 38.7 t -73.3 32.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.766 0.317 . . . . 1.0 110.898 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.99 168.66 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.574 -1.01 . . . . 1.0 110.574 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.419 ' O ' ' SD ' ' A' ' 96' ' ' MET . 22.5 ptt180 -85.85 -24.97 26.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 1.0 109.734 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -52.1 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLY . 66.8 tttt -67.47 -29.57 69.06 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.1 -38.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.643 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.72 -43.88 71.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.221 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -65.56 -36.73 92.84 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -33.95 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.711 -0.288 . . . . 1.0 111.348 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.54 5.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.45 59.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.0 t -69.91 -65.45 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.395 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.15 -47.45 68.75 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.551 0.691 . . . . 1.0 110.262 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' VAL . 1.4 tp -68.25 -18.3 23.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.409 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 101' ' ' VAL . . . -47.87 -49.58 29.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.777 0.322 . . . . 1.0 110.924 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.13 -41.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.228 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.78 -30.45 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.717 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' VAL . 2.7 t -80.91 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 121.159 -0.217 . . . . 1.0 110.544 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.84 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 1.0 111.458 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' VAL . 26.1 t -92.44 -81.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.386 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.52 -34.72 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.0 m -61.53 -54.13 47.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.684 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.81 -27.57 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 1.0 110.431 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 52.8 m -65.67 -57.98 6.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.029 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.0 mt -65.71 -38.08 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.71 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.54 -36.11 73.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.778 -0.452 . . . . 1.0 109.778 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.01 -22.67 16.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.046 0.45 . . . . 1.0 110.26 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.97 -30.93 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.187 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.52 -32.86 73.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.9 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.59 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.862 0.319 . . . . 1.0 111.862 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.93 -30.26 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-O 120.85 0.357 . . . . 1.0 110.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.16 44.16 1.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.853 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' B' ' 30' ' ' ALA . 24.7 tt0 -179.87 -86.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 1.0 110.652 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -70.4 4.93 1.99 Allowed 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.315 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 29' ' ' ALA . . . -36.11 -32.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.66 0.267 . . . . 1.0 111.687 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 29' ' ' ALA . 37.5 t80 -95.77 -43.17 8.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.023 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -66.84 -27.53 67.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.26 0.552 . . . . 1.0 109.63 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' B' ' 35' ' ' GLY . 53.8 tp60 -59.92 -63.54 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.185 -0.916 . . . . 1.0 109.099 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -42.06 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.598 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.59 -48.42 2.98 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -48.0 -41.37 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 121.0 -0.28 . . . . 1.0 110.289 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.94 -62.99 1.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -35.33 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.52 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 37' ' ' ALA . 12.7 mt -89.85 -49.61 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' B' ' 37' ' ' ALA . 71.6 mt -65.14 -35.55 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.763 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.19 63.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.73 -38.6 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.771 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -49.41 -48.01 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.704 -0.398 . . . . 1.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -74.23 -44.13 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.705 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.79 46.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.633 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.19 -46.36 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.296 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -60.44 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.439 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.25 101.73 4.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.319 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.71 96.79 10.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' ASP . 47.9 t -147.7 -98.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' B' ' 50' ' ' VAL . 4.6 p-10 40.15 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 179.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.749 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' B' ' 53' ' ' ILE . 0.1 OUTLIER -49.24 -27.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.225 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.1 3.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 1.0 110.141 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -79.89 -48.06 14.07 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.385 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.83 -37.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -49.92 -46.0 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 mt -51.34 -51.02 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.456 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 63' ' ' MET . 76.3 mt -65.94 -53.59 36.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-O 121.185 0.516 . . . . 1.0 110.234 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.7 m -46.41 -50.54 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t -64.17 -63.99 1.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 1.0 111.605 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.69 -32.53 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.116 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' B' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.09 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.634 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -65.61 -50.77 63.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.052 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.424 ' O ' ' OE2' ' B' ' 69' ' ' GLU . 93.6 t -60.87 -36.56 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.874 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' GLU . 19.6 mtt -57.45 -49.89 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.769 -0.651 . . . . 1.0 109.975 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -44.44 -24.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 1.0 110.147 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' B' ' 66' ' ' MET . 11.1 t -91.73 -31.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -48.02 6.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -178.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 4.1 pt -69.95 -50.65 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.073 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 70' ' ' ILE . 5.9 tp -50.1 -40.64 46.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.337 -0.545 . . . . 1.0 109.769 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.416 HD21 ' H ' ' A' ' 85' ' ' GLU . 4.4 m120 -75.38 -12.48 60.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.9 t -89.99 -56.28 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.051 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.59 -51.87 65.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 11.3 tt -51.06 -43.5 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.783 -0.644 . . . . 1.0 109.584 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 83.9 mt-10 -80.9 -23.69 38.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.616 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.99 63.19 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.457 -0.497 . . . . 1.0 110.0 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -53.31 -31.65 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.182 -0.674 . . . . 1.0 109.182 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.29 -24.03 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.662 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 63.6 m-20 -77.27 -103.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.075 0.398 . . . . 1.0 112.075 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 82' ' ' ILE . 63.4 mtp180 -100.29 -8.85 22.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.72 0.266 . . . . 1.0 111.72 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.0 tt 34.44 99.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.981 0.419 . . . . 1.0 111.902 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -133.61 -69.24 0.08 OUTLIER Glycine 0 N--CA 1.467 0.743 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.6 m 41.93 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 1.0 111.017 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.445 ' H ' HD21 ' C' ' 72' ' ' ASN . 87.3 mt-10 -51.16 127.43 19.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.48 -16.16 46.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' B' ' 88' ' ' GLU . 3.3 m-70 -76.1 -63.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.619 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 87' ' ' HIS . 8.7 pt-20 26.54 48.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.938 -0.574 . . . . 1.0 112.28 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.589 ' H ' ' CD2' ' B' ' 89' ' ' LEU . 1.5 pt? -103.92 -21.93 13.56 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.693 0.283 . . . . 1.0 111.264 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 91' ' ' GLY . 39.7 t -73.31 32.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 1.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.05 168.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.518 -1.033 . . . . 1.0 110.518 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.426 ' O ' ' SD ' ' B' ' 96' ' ' MET . 22.5 ptt180 -85.83 -25.1 26.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.92 -52.12 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 97' ' ' GLY . 66.9 tttt -67.48 -29.48 68.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.59 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.3 -38.57 1.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.582 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' B' ' 96' ' ' MET . 0.2 OUTLIER -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 179.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -65.53 -36.76 92.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.8 t -48.56 -33.8 10.31 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.717 -0.284 . . . . 1.0 111.371 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.05 -50.51 5.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.16 -21.41 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.191 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' B' ' 97' ' ' GLY . 6.1 t -69.96 -65.48 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.343 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.02 -47.58 68.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.535 0.683 . . . . 1.0 110.281 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.4 tp -68.14 -18.37 23.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.486 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 101' ' ' VAL . . . -47.76 -49.66 27.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.86 0.362 . . . . 1.0 110.948 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.1 -41.39 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.212 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.75 -30.39 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.696 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' B' ' 109' ' ' VAL . 2.7 t -80.94 -74.73 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.41 -0.219 . . . . 1.0 110.41 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -36.75 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.488 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.472 ' O ' ' SG ' ' B' ' 113' ' ' CYS . 26.1 t -92.41 -81.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.408 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.402 HG22 HD12 ' B' ' 110' ' ' ILE . 23.2 mm -48.57 -34.68 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 30.9 m -61.62 -54.11 47.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.386 -0.526 . . . . 1.0 110.689 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.78 -27.6 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.385 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 55.1 m -65.7 -57.92 6.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.035 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.77 -38.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.666 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.73 -30.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.64 -36.04 73.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.13 -22.51 17.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -59.07 -30.94 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.205 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -68.49 -32.82 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.592 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 92.9 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.9 -30.18 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 120.897 0.38 . . . . 1.0 110.156 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.18 44.15 1.14 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.807 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -179.89 -86.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.087 0.47 . . . . 1.0 110.68 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -70.43 5.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.297 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 29' ' ' ALA . . . -36.1 -32.1 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.729 0.299 . . . . 1.0 111.707 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' C' ' 29' ' ' ALA . 37.9 t80 -95.77 -43.16 8.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.1 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.93 -27.5 67.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' C' ' 35' ' ' GLY . 54.0 tp60 -59.89 -63.63 1.23 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.32 -0.854 . . . . 1.0 109.068 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -42.13 -22.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.585 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.61 -48.36 2.99 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.97 -41.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.295 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.94 -62.89 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -35.3 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.458 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' C' ' 37' ' ' ALA . 12.9 mt -89.82 -49.81 6.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' C' ' 37' ' ' ALA . 71.9 mt -64.96 -35.59 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.712 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.19 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.68 -38.64 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -49.44 -47.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 54.8 mt -74.15 -44.24 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.697 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.76 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.681 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.43 -46.12 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 84.9 mt -139.28 101.81 4.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.63 96.7 10.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' C' ' 51' ' ' ASP . 47.8 t -147.67 -98.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 50' ' ' VAL . 4.6 p-10 40.21 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.766 0.317 . . . . 1.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 179.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.695 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -49.28 -27.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.152 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.32 -37.04 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.097 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -79.95 -48.17 13.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.297 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.72 -37.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.03 -45.94 52.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.42 -50.91 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.44 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.03 -53.52 36.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 1.0 110.182 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.1 m -46.44 -50.52 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.024 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 30.0 t -64.16 -63.97 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 1.0 111.678 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.62 -32.61 31.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.172 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' C' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.2 98.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.594 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.49 -50.89 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.97 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' C' ' 69' ' ' GLU . 94.1 t -60.81 -36.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.885 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.459 ' O ' ' N ' ' C' ' 69' ' ' GLU . 19.5 mtt -57.26 -50.04 74.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.029 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.32 -24.21 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-O 120.88 0.372 . . . . 1.0 110.189 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' C' ' 66' ' ' MET . 11.2 t -91.74 -31.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' C' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -47.99 6.13 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -178.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 73' ' ' SER . 4.0 pt -69.82 -50.86 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.241 -0.583 . . . . 1.0 110.093 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' C' ' 70' ' ' ILE . 5.8 tp -50.0 -40.52 44.62 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.801 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.445 HD21 ' H ' ' B' ' 85' ' ' GLU . 4.4 m120 -75.54 -12.37 60.21 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.8 t -90.02 -56.27 3.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.998 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -51.86 65.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.182 0.515 . . . . 1.0 110.031 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' C' ' 76' ' ' GLU . 11.3 tt -51.1 -43.45 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.683 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 84.2 mt-10 -80.93 -23.65 38.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.599 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.83 -52.99 63.19 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.468 -0.493 . . . . 1.0 109.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -53.35 -31.61 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -85.24 -24.04 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.73 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.3 m-20 -77.26 -103.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 82' ' ' ILE . 63.3 mtp180 -100.33 -8.85 22.92 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.708 0.262 . . . . 1.0 111.708 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.9 tt 34.4 99.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.942 0.401 . . . . 1.0 111.814 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -133.7 -69.33 0.08 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.425 ' O ' ' O ' ' C' ' 83' ' ' GLY . 24.2 m 41.99 -166.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.843 0.354 . . . . 1.0 111.022 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . 0.435 ' H ' HD21 ' A' ' 72' ' ' ASN . 87.3 mt-10 -51.14 127.47 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.516 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -83.5 -16.15 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.718 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' C' ' 88' ' ' GLU . 3.4 m-70 -76.12 -63.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' C' ' 87' ' ' HIS . 8.8 pt-20 26.51 48.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.659 0.599 . . . . 1.0 112.248 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.597 ' CD2' ' H ' ' C' ' 89' ' ' LEU . 1.5 pt? -103.78 -22.05 13.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.209 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 91' ' ' GLY . 40.1 t -73.22 32.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 1.0 110.867 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.02 168.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.582 -1.007 . . . . 1.0 110.582 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.423 ' O ' ' SD ' ' C' ' 96' ' ' MET . 22.5 ptt180 -85.9 -25.05 26.37 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.11 58.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' C' ' 97' ' ' GLY . 66.7 tttt -67.49 -29.53 68.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.62 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.27 -38.51 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' C' ' 96' ' ' MET . 0.2 OUTLIER -69.77 -43.78 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' C' ' 94' ' ' LYS . . . -65.6 -36.8 92.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -48.51 -33.86 10.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.727 -0.278 . . . . 1.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.99 -50.48 5.68 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.39 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.258 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' C' ' 97' ' ' GLY . 6.1 t -69.84 -65.5 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.329 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.09 -47.58 68.46 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.595 0.712 . . . . 1.0 110.307 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' C' ' 107' ' ' VAL . 1.4 tp -68.06 -18.36 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.416 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.9 -49.65 29.19 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.795 0.331 . . . . 1.0 110.911 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.1 -41.3 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.253 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.81 -30.41 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.646 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' C' ' 109' ' ' VAL . 2.7 t -80.94 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 122.358 -0.214 . . . . 1.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.76 -29.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 1.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.48 ' O ' ' SG ' ' C' ' 113' ' ' CYS . 26.3 t -92.43 -81.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.35 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.53 -34.84 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 30.6 m -61.63 -53.93 49.69 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.698 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -62.93 -27.57 69.47 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.374 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 52.2 m -65.54 -58.02 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.74 -38.03 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.721 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.63 -30.88 44.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.52 -36.16 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.04 -22.63 16.45 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.277 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.95 -30.93 68.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' C' ' 121' ' ' GLY . 46.3 m80 -68.56 -32.8 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.9 t80 49.1 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.001 -1.444 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.705 0.288 . . . . 1.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.33 -12.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 1.0 111.246 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.23 -63.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 30' ' ' ALA . 84.0 mt-10 -106.19 -46.71 4.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 25' ' ' TRP . . . -56.18 -4.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.13 -39.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.225 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ALA . 28.4 m-85 -67.32 -50.01 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.48 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' ALA . 16.8 mmm180 -63.69 -45.45 89.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.015 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.59 32.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.437 . . . . 1.0 110.542 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -95.2 -43.85 7.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.243 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.71 -47.09 8.11 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.5 t -49.97 -48.71 22.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -11.59 45.9 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.96 -30.26 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.379 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.25 -57.41 2.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.92 -0.4 . . . . 1.0 109.92 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -38.34 72.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.763 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.42 70.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.54 -43.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.648 0.261 . . . . 1.0 111.589 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.71 -44.52 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.748 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 20.8 tt -60.78 -45.25 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.334 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.45 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -63.43 -30.04 71.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.24 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.34 -48.47 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.249 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -50.38 -52.17 39.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.97 -104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.282 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.8 t0 -159.82 -156.42 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.535 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 14.8 m -97.85 168.95 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' B' ' 53' ' ' ILE . 14.0 p-10 -156.73 -148.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.769 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.18 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.111 0.481 . . . . 1.0 111.553 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 56' ' ' VAL . 30.8 pt -65.42 -26.73 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.344 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.9 p -41.9 -25.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.733 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ILE . 48.2 ttp85 -79.03 -47.81 15.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.175 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' ILE . 57.8 t -65.58 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.766 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.17 -43.19 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 1.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.58 -50.97 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.534 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.5 pt -78.47 -40.88 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.683 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -45.98 -55.33 6.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.581 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -60.66 -51.04 71.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.297 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.06 -39.2 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.245 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.7 mtm -70.28 -49.84 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.63 -51.98 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.087 -0.245 . . . . 1.0 111.636 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.66 -30.09 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.117 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -38.19 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.086 -0.709 . . . . 1.0 109.086 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.9 mm -50.37 -49.09 24.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.992 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 t -84.98 -32.25 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 1.0 112.262 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -91.27 -80.96 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.507 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mm -43.91 -54.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.11 66.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.329 -0.948 . . . . 1.0 109.699 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.69 -11.85 59.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.099 0.476 . . . . 1.0 109.79 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ALA . 5.9 p -89.55 -52.81 4.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.07 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -58.83 -50.95 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.161 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mm -52.91 -29.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.616 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' ASP . 42.9 mm-40 -92.92 -26.08 17.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.99 -52.2 66.49 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.39 -36.28 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.274 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.17 -27.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.58 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.9 m-20 -83.61 -111.15 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 112.002 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.67 ' HE ' ' NH1' ' C' ' 92' ' ' ARG . 60.3 mtm180 -106.07 -33.94 7.72 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.193 -0.458 . . . . 1.0 112.089 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.5 tt 37.0 102.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.457 0.646 . . . . 1.0 111.565 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.57 59.87 0.54 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.9 t -41.59 143.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 1.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 10.2 mp0 -63.34 165.35 7.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -83.87 -38.06 21.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -63.0 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.956 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -47.44 97.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 1.0 110.33 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' GLY . 5.3 tp -155.84 -21.1 0.11 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.793 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -63.04 61.42 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.882 0.373 . . . . 1.0 111.552 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 56.32 166.92 0.06 OUTLIER Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.666 HH12 ' NE ' ' B' ' 81' ' ' ARG . 32.3 ptt-85 -86.11 -19.36 30.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.096 0.474 . . . . 1.0 109.961 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -50.43 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.609 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.0 -34.69 78.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.164 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.411 ' O ' ' OG ' ' A' ' 98' ' ' SER . 32.4 m-20 -42.07 -35.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.004 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.4 mtt -74.16 -44.63 52.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.072 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.75 -38.77 96.02 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.231 -1.147 . . . . 1.0 110.231 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 69.6 p -48.67 -27.04 2.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 1.0 110.6 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.82 -21.3 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.388 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.66 -64.62 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.33 -46.14 69.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.398 0.618 . . . . 1.0 111.029 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 107' ' ' VAL . 4.9 pt -71.91 -17.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.8 -48.93 10.97 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.353 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 3.2 pt -65.5 -42.72 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.346 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 95.2 mt -74.35 -64.12 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 120.121 -0.631 . . . . 1.0 111.108 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' VAL . 42.0 t -50.46 -77.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.87 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -32.04 -34.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.088 0.47 . . . . 1.0 111.641 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.9 t -90.64 -76.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 106' ' ' ILE . 1.5 mp -45.13 -29.58 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.521 -0.309 . . . . 1.0 110.885 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 112' ' ' TRP . 7.1 t -62.72 -45.72 91.42 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.454 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.467 ' N ' ' CG2' ' A' ' 111' ' ' THR . 60.4 t-105 -64.52 -27.92 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.12 -57.32 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.76 -48.01 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -45.02 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.969 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 120' ' ' PHE . 9.0 t -49.43 -37.07 24.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.538 ' H ' ' C ' ' A' ' 118' ' ' SER . 89.8 t80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 1.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.566 ' CD1' ' CB ' ' B' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.725 0.298 . . . . 1.0 111.195 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.46 -12.24 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 1.0 111.196 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.35 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.897 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' B' ' 30' ' ' ALA . 83.6 mt-10 -106.13 -46.91 3.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' B' ' 25' ' ' TRP . . . -56.05 -4.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.08 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.196 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.29 -50.01 61.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.482 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' ALA . 16.8 mmm180 -63.54 -45.54 90.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.013 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.61 32.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.001 0.429 . . . . 1.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -95.1 -43.93 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.291 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -47.23 8.12 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -49.94 -48.7 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.214 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.63 -11.63 46.31 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.896 -0.322 . . . . 1.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 78.5 t -99.91 -30.19 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.24 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.977 -0.379 . . . . 1.0 109.977 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -38.35 72.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -31.41 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.441 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -89.51 -43.84 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 120.67 0.271 . . . . 1.0 111.586 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.63 -44.49 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.75 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 20.8 tt -60.88 -45.2 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.35 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.446 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -63.34 -30.15 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.25 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.28 -48.47 42.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.42 -52.08 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.105 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.02 -104.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.354 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.8 t0 -159.87 -156.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.547 -0.297 . . . . 1.0 110.385 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.521 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 14.6 m -97.92 168.91 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.517 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' C' ' 53' ' ' ILE . 14.0 p-10 -156.65 -148.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.787 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.24 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 1.0 111.661 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 56' ' ' VAL . 30.9 pt -65.4 -26.79 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.291 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.5 p -41.83 -25.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.825 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 53' ' ' ILE . 48.3 ttp85 -79.01 -47.85 15.51 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.114 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 53' ' ' ILE . 57.5 t -65.55 -31.79 55.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.305 -0.861 . . . . 1.0 110.736 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tp -53.09 -43.27 66.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.018 0.437 . . . . 1.0 110.564 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.49 -51.0 51.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.547 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.401 ' CD1' ' OG ' ' C' ' 60' ' ' SER . 11.3 pt -78.57 -40.81 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -46.03 -55.28 7.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.61 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -60.61 -51.16 70.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 1.0 110.35 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.01 -39.17 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.201 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.16 -49.91 45.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.64 -52.02 65.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.619 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -30.16 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -38.17 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -50.46 -49.1 25.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.165 -0.925 . . . . 1.0 111.013 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.95 -32.21 7.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.327 0.492 . . . . 1.0 112.327 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.2 -81.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 31.1 mm -43.76 -54.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.506 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -38.2 66.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.332 -0.947 . . . . 1.0 109.721 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.74 -11.67 59.99 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 77' ' ' ALA . 5.9 p -89.63 -52.91 4.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.733 -0.667 . . . . 1.0 109.97 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -58.79 -50.96 72.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 mm -52.84 -29.51 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.896 -1.047 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 80' ' ' ASP . 43.0 mm-40 -92.82 -26.09 17.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.87 -52.23 66.32 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.39 -36.31 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.245 -0.889 . . . . 1.0 109.332 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.24 -27.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.503 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.7 m-20 -83.69 -111.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.99 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.666 ' NE ' HH12 ' A' ' 92' ' ' ARG . 60.3 mtm180 -106.08 -33.85 7.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.129 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.6 tt 36.94 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.441 0.638 . . . . 1.0 111.639 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.65 60.03 0.53 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.569 -1.012 . . . . 1.0 110.569 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -41.56 143.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 1.0 110.975 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 10.2 mp0 -63.26 165.31 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -83.84 -38.03 21.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -62.99 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.983 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.47 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' B' ' 91' ' ' GLY . 5.3 tp -155.9 -21.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.749 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.5 m -63.08 61.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.924 0.392 . . . . 1.0 111.603 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 56.34 166.9 0.06 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.667 HH12 ' NE ' ' C' ' 81' ' ' ARG . 32.3 ptt-85 -86.04 -19.44 30.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 1.0 110.002 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.43 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.66 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.08 -34.64 78.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.123 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 32.4 m-20 -42.16 -35.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.978 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 24.0 mtt -74.08 -44.68 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.116 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.71 -38.71 95.98 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.215 -1.154 . . . . 1.0 110.215 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 71.0 p -48.85 -26.98 2.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.791 0.329 . . . . 1.0 110.511 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.38 -48.25 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.101 0.477 . . . . 1.0 109.825 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.81 -21.23 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.32 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.71 -64.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.27 -46.22 69.18 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.473 0.654 . . . . 1.0 111.054 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' B' ' 107' ' ' VAL . 4.9 pt -71.84 -17.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.88 -48.84 11.19 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.38 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 3.2 pt -65.56 -42.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' B' ' 110' ' ' ILE . 95.1 mt -74.43 -63.97 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.086 -0.646 . . . . 1.0 111.138 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' B' ' 103' ' ' ILE . 41.7 t -50.61 -76.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.895 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -32.06 -34.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.041 0.448 . . . . 1.0 111.63 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.7 t -90.59 -76.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' B' ' 110' ' ' ILE . 1.5 mp -45.05 -29.61 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.866 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 112' ' ' TRP . 7.1 t -62.71 -45.69 91.58 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.489 -0.484 . . . . 1.0 110.466 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . 0.468 ' N ' ' CG2' ' B' ' 111' ' ' THR . 60.4 t-105 -64.6 -27.92 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.13 -57.38 8.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -39.63 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.591 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.87 -47.94 76.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -45.02 93.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.05 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.34 -40.26 90.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.402 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' SER . . . . . 0.538 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.9 t -49.48 -37.09 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.443 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.56 4.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.979 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.538 ' H ' ' C ' ' B' ' 118' ' ' SER . 89.7 t80 . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.564 ' CD1' ' CB ' ' C' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.637 0.256 . . . . 1.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.28 -12.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 1.0 111.206 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.28 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.909 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' C' ' 30' ' ' ALA . 83.9 mt-10 -106.2 -46.84 3.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.614 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' C' ' 25' ' ' TRP . . . -56.07 -4.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.837 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.07 -39.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.233 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' C' ' 29' ' ' ALA . 28.2 m-85 -67.32 -49.95 62.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.531 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' C' ' 29' ' ' ALA . 16.9 mmm180 -63.64 -45.54 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.988 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.93 -15.63 33.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.064 0.459 . . . . 1.0 110.595 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -95.09 -43.87 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.268 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.57 -47.24 8.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.2 t -50.04 -48.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -11.5 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.91 -30.27 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.372 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.23 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -38.4 72.31 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.729 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.96 -31.34 70.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 88.4 t -89.58 -43.7 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.6 0.238 . . . . 1.0 111.578 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.76 -44.44 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 1.0 110.701 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 20.8 tt -60.93 -45.2 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.347 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -63.35 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.3 -48.61 40.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.31 -52.08 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 mt -79.97 -104.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.321 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.8 t0 -159.89 -156.4 0.5 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.341 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . 0.526 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 14.8 m -97.93 168.84 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.51 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 13.9 p-10 -156.64 -148.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.783 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -174.05 5.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.074 0.464 . . . . 1.0 111.641 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 56' ' ' VAL . 30.4 pt -65.51 -26.69 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.312 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 23.8 p -41.91 -25.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.718 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 53' ' ' ILE . 48.3 ttp85 -79.04 -47.74 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.201 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' C' ' 53' ' ' ILE . 57.9 t -65.63 -31.73 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.73 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.1 -43.29 66.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.011 0.434 . . . . 1.0 110.467 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.5 -50.99 51.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.635 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 11.4 pt -78.51 -40.86 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' B' ' 59' ' ' ILE . 5.5 t -45.97 -55.37 6.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.54 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 9.1 t -60.72 -51.03 71.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.214 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.13 -39.08 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.225 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.26 -49.95 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.55 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.632 0.234 . . . . 1.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.52 -30.25 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.077 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.21 76.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.4 mm -50.33 -49.12 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.035 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.93 -32.24 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -91.19 -80.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.984 0.421 . . . . 1.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.9 -54.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.586 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.13 66.75 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 119.393 -0.923 . . . . 1.0 109.677 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.73 -11.83 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 1.0 109.792 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.475 ' O ' ' N ' ' C' ' 77' ' ' ALA . 5.8 p -89.48 -52.91 4.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.079 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -58.85 -50.89 72.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.621 -0.718 . . . . 1.0 109.191 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 mm -52.87 -29.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.583 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 80' ' ' ASP . 43.0 mm-40 -92.91 -25.97 17.82 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.97 -52.23 66.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.34 -36.28 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.278 -0.874 . . . . 1.0 109.325 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.35 -27.83 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.524 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' C' ' 76' ' ' GLU . 62.0 m-20 -83.71 -111.2 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.938 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.667 ' NE ' HH12 ' B' ' 92' ' ' ARG . 60.1 mtm180 -105.98 -33.92 7.76 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.182 0.438 . . . . 1.0 112.182 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.5 tt 36.96 102.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 1.0 111.583 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.62 60.03 0.53 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.526 -1.03 . . . . 1.0 110.526 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -41.65 143.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.793 0.33 . . . . 1.0 111.012 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' C' ' 85' ' ' GLU . 10.1 mp0 -63.34 165.3 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -83.82 -38.08 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -62.98 -62.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.932 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.54 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' C' ' 91' ' ' GLY . 5.9 tp -155.8 -21.03 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.727 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -63.14 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.983 0.42 . . . . 1.0 111.621 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 56.26 166.96 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.67 ' NH1' ' HE ' ' A' ' 81' ' ' ARG . 32.3 ptt-85 -86.14 -19.4 30.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 1.0 109.91 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.47 66.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.622 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -67.06 -34.56 77.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.812 0.339 . . . . 1.0 111.236 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 32.4 m-20 -42.02 -35.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.017 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 24.2 mtt -74.25 -44.6 52.36 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.087 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.6 -38.85 96.23 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.255 -1.138 . . . . 1.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 69.5 p -48.73 -26.99 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.745 0.307 . . . . 1.0 110.56 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.89 -21.22 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.679 . . . . 1.0 111.347 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.84 -64.48 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 112.306 0.484 . . . . 1.0 112.306 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 mt -53.34 -46.22 69.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.403 0.62 . . . . 1.0 110.988 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' C' ' 107' ' ' VAL . 4.9 pt -71.86 -17.76 19.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.96 10.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.941 0.4 . . . . 1.0 110.381 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 3.2 pt -65.5 -42.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' C' ' 110' ' ' ILE . 95.2 mt -74.48 -63.96 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.077 -0.649 . . . . 1.0 111.097 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' C' ' 109' ' ' VAL . 41.9 t -50.63 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.885 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -31.96 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.096 0.474 . . . . 1.0 111.649 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.9 t -90.66 -75.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' C' ' 106' ' ' ILE . 1.5 mp -45.15 -29.65 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.857 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' C' ' 112' ' ' TRP . 7.1 t -62.55 -45.84 91.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . 0.467 ' N ' ' CG2' ' C' ' 111' ' ' THR . 60.5 t-105 -64.56 -27.95 69.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.15 -57.35 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.619 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.89 -47.88 76.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -45.17 93.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.913 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.35 -40.27 90.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.313 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' SER . . . . . 0.529 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.9 t -49.48 -37.02 24.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' C' ' 118' ' ' SER . 89.6 t80 -44.91 163.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 1.0 110.553 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.682 0 CA-C-O 117.974 -1.459 . . . . 1.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.91 0.386 . . . . 1.0 110.476 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 pt -55.25 -11.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.203 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 16.2 p-10 -60.25 -60.97 2.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.435 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.525 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 66.4 mt-10 -107.19 -44.84 4.26 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.752 0.311 . . . . 1.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -58.03 -3.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.93 -39.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.662 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -96.63 -35.62 10.99 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.253 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.24 -41.61 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 1.0 110.095 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.01 -63.31 1.34 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.571 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -44.43 -36.41 2.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.941 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -66.79 -58.67 7.99 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.82 -34.27 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -6.5 9.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.34 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t -103.36 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.323 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.3 mp -91.93 -48.67 6.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.162 0.506 . . . . 1.0 110.648 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.66 -42.16 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.109 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.47 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.5 -37.65 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.92 -48.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.569 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 45' ' ' ALA . 4.4 pt -72.82 -46.98 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.253 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 44' ' ' ILE . . . -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 1.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -71.63 -46.54 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.331 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -52.67 -44.92 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.32 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.434 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 45.6 p-10 -84.42 -160.12 0.45 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.656 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.42 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.36 152.91 51.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.002 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.57 -59.84 2.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.407 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -173.44 -31.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.579 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -50.0 -35.12 23.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.749 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -78.87 -48.06 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.25 -45.23 98.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.619 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.47 -50.56 31.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 1.0 109.914 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 79.6 mt -46.72 -41.99 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.691 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.21 -49.99 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.907 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.14 -55.79 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.716 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 t -63.98 -63.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.116 0.484 . . . . 1.0 110.531 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 58' ' ' LEU . 45.1 t -51.33 -32.08 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.867 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.6 ttm -58.84 -30.94 68.05 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.429 -0.508 . . . . 1.0 109.929 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.1 mt -64.0 -44.99 90.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.3 -33.65 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.935 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 31.1 mtt -62.55 -49.85 73.66 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.287 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -44.31 -30.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.684 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.39 -28.7 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 1.0 111.63 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.23 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.778 0.323 . . . . 1.0 111.053 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 73' ' ' SER . 44.5 mm -62.34 -60.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.35 -36.72 44.3 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.946 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.47 -11.05 60.68 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.43 0.634 . . . . 1.0 109.395 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 74' ' ' ALA . 1.2 p -89.73 -54.25 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.91 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.553 ' N ' ' HG ' ' A' ' 73' ' ' SER . . . -59.44 -52.09 67.07 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.546 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 76' ' ' GLU . 10.7 tp -50.45 -46.08 26.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.155 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 15.0 tt0 -79.73 -23.7 42.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.06 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -58.08 -54.78 43.07 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.531 -0.467 . . . . 1.0 110.759 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.94 -31.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.59 -33.67 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.237 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' GLU . 84.3 m-20 -83.01 -108.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.581 ' C ' ' H ' ' A' ' 83' ' ' GLY . 73.6 mtp180 -104.53 6.02 34.39 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.321 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ALA . 5.7 mt 67.2 -28.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.477 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 81' ' ' ARG . . . 105.78 1.78 39.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 4.4 t 65.45 59.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 1.0 110.964 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.12 88.26 7.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.339 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.443 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 56.9 m-85 -79.01 -31.44 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.975 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 2.2 m-70 -58.79 -63.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.895 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.613 ' C ' ' H ' ' A' ' 90' ' ' SER . 5.8 tt0 32.73 -146.31 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.331 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.536 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 tp 62.72 -27.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.278 0.473 . . . . 1.0 112.278 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.613 ' H ' ' C ' ' A' ' 88' ' ' GLU . 11.7 m -52.9 -1.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.882 0.326 . . . . 1.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.21 172.29 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.554 -1.019 . . . . 1.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.06 -24.55 21.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.68 -52.61 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.791 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 98' ' ' SER . 31.8 mttt -69.08 -28.3 66.39 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.947 0.403 . . . . 1.0 111.192 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 80.4 m-20 -44.31 -41.43 5.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.466 -0.494 . . . . 1.0 110.805 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' B' ' 30' ' ' ALA . 6.1 mtp -82.23 -50.3 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.886 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -61.26 -46.54 94.24 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.371 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' LYS . 67.0 m -49.36 -31.0 8.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.764 0.316 . . . . 1.0 111.092 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.83 -53.12 4.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.52 -21.83 62.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.799 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.548 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 12.1 p -72.17 -62.18 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.591 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.548 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 9.4 tp -52.93 -44.79 67.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.895 0.855 . . . . 1.0 109.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 106' ' ' ILE . 28.5 mm -75.05 -22.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.3 -0.863 . . . . 1.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -38.16 -49.01 1.31 Allowed 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.092 0.473 . . . . 1.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.7 pt -69.56 -40.72 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.299 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 89.7 mt -70.73 -34.72 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.272 -0.571 . . . . 1.0 112.291 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.666 ' CG1' ' H ' ' A' ' 108' ' ' ALA . 9.4 p -82.86 -71.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.666 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . -38.96 -28.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.627 0.251 . . . . 1.0 111.455 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 105' ' ' ILE . 87.0 t -86.05 -80.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.338 . . . . 1.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.54 -24.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.132 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 49.8 m -59.37 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 1.0 110.566 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.2 -22.47 11.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.42 -57.56 9.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.366 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.526 ' H ' HD12 ' A' ' 114' ' ' ILE . 1.8 mp -65.17 -46.46 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.327 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.11 -33.79 65.44 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.53 -45.96 60.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.457 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.12 -20.97 1.67 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.29 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -60.02 -26.44 66.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.622 ' HD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -63.53 -5.84 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.544 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.622 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 71.0 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' B' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.907 0.384 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 pt -55.33 -11.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' B' ' 28' ' ' GLU . 16.2 p-10 -60.23 -61.0 2.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.48 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.522 ' H ' ' CG ' ' B' ' 27' ' ' ASN . 66.3 mt-10 -107.1 -44.85 4.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 1.0 110.721 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -58.11 -3.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.756 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.82 -39.37 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.652 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -96.62 -35.7 10.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.251 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.15 -41.67 99.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.071 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.633 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -44.6 -36.26 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.871 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -66.93 -58.61 7.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 109.386 -1.486 . . . . 1.0 109.386 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.83 -34.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.4 -6.43 10.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.284 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' B' ' 35' ' ' GLY . 24.0 t -103.4 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.302 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' B' ' 39' ' ' LEU . 9.3 mp -91.98 -48.55 6.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.136 0.493 . . . . 1.0 110.703 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.66 -42.07 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.51 69.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.304 0.483 . . . . 1.0 112.304 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -96.48 -37.54 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.02 -48.68 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.466 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.473 ' CG1' ' N ' ' B' ' 45' ' ' ALA . 4.4 pt -72.8 -47.02 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 44' ' ' ILE . . . -59.03 -34.62 72.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.55 -46.57 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -52.75 -44.85 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 mt -95.37 -144.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ALA . 45.7 p-10 -84.49 -160.08 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.564 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.34 152.93 51.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.358 -0.383 . . . . 1.0 109.987 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.67 -59.78 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.331 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -173.53 -31.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.61 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.748 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -78.88 -48.05 15.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 1.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.36 -45.09 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.661 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.57 -50.51 32.03 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.891 -0.411 . . . . 1.0 109.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' B' ' 62' ' ' VAL . 79.7 mt -46.75 -41.92 16.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.685 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' B' ' 63' ' ' MET . 80.3 mt -78.27 -49.95 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.892 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.25 -55.78 16.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.709 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.1 t -63.95 -63.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.002 0.43 . . . . 1.0 110.489 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' B' ' 58' ' ' LEU . 45.3 t -51.37 -32.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 63' ' ' MET . 30.6 ttm -58.8 -31.01 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.859 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.94 -45.05 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.24 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.934 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' B' ' 70' ' ' ILE . 31.0 mtt -62.68 -49.71 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.273 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.39 -30.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.624 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -91.5 -28.61 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.671 0.272 . . . . 1.0 111.56 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.22 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.856 0.36 . . . . 1.0 111.105 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.6 mm -62.51 -60.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.167 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.38 -36.64 44.27 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.962 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -71.5 -11.0 60.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.368 0.604 . . . . 1.0 109.374 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.2 p -89.78 -54.27 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.882 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.442 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.622 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 10.7 tp -50.39 -46.1 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.428 -0.806 . . . . 1.0 110.2 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' B' ' 75' ' ' ILE . 15.0 tt0 -79.76 -23.67 42.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.805 -0.358 . . . . 1.0 111.07 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.06 -54.71 43.89 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.77 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -54.09 -31.16 21.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -82.62 -33.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.165 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' GLU . 84.3 m-20 -82.95 -108.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.51 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.576 ' C ' ' H ' ' B' ' 83' ' ' GLY . 73.5 mtp180 -104.53 6.0 34.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.356 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' B' ' 77' ' ' ALA . 5.7 mt 67.3 -28.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.429 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' B' ' 81' ' ' ARG . . . 105.94 1.66 39.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' B' ' 86' ' ' TYR . 4.3 t 65.43 59.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.755 0.312 . . . . 1.0 110.942 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.16 88.23 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.28 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' OG ' ' B' ' 84' ' ' SER . 56.9 m-85 -78.92 -31.56 45.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.062 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 2.2 m-70 -58.73 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.919 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.599 ' C ' ' H ' ' B' ' 90' ' ' SER . 5.8 tt0 32.82 -146.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.226 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.542 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 tp 62.6 -27.31 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.355 0.502 . . . . 1.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.599 ' H ' ' C ' ' B' ' 88' ' ' GLU . 11.7 m -52.98 -1.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.24 172.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.02 -24.61 21.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.47 44.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.86 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' B' ' 98' ' ' SER . 31.7 mttt -69.18 -28.35 66.33 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.89 0.376 . . . . 1.0 111.122 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 80.4 m-20 -44.22 -41.5 5.87 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.401 -0.52 . . . . 1.0 110.846 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' C' ' 30' ' ' ALA . 6.2 mtp -82.16 -50.29 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.844 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -61.31 -46.47 94.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 120.768 -0.73 . . . . 1.0 111.392 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.467 ' N ' ' O ' ' B' ' 94' ' ' LYS . 66.9 m -49.45 -30.94 8.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.805 0.336 . . . . 1.0 111.146 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.79 -53.18 4.12 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.38 -21.92 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.828 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.547 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 12.3 p -72.08 -62.36 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 120.827 -0.349 . . . . 1.0 111.565 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.547 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 7.6 tp -53.09 -44.5 67.63 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.874 0.845 . . . . 1.0 109.539 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.428 HG21 HD13 ' B' ' 103' ' ' ILE . 28.2 mm -75.08 -22.46 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.421 -0.808 . . . . 1.0 111.178 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -38.16 -48.96 1.31 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.117 0.484 . . . . 1.0 110.733 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 2.7 pt -69.54 -40.75 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.427 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' B' ' 103' ' ' ILE . 89.8 mt -70.69 -34.79 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 120.239 -0.584 . . . . 1.0 112.285 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.668 ' CG1' ' H ' ' B' ' 108' ' ' ALA . 9.3 p -82.86 -71.17 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.242 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.668 ' H ' ' CG1' ' B' ' 107' ' ' VAL . . . -38.74 -28.73 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.586 0.231 . . . . 1.0 111.461 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' B' ' 105' ' ' ILE . 86.5 t -85.96 -80.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 1.0 110.605 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.72 -24.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.142 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 48.9 m -59.4 -53.71 55.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 1.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -54.26 -22.41 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.367 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.38 -57.62 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.395 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.523 HD12 ' H ' ' B' ' 114' ' ' ILE . 1.8 mp -64.99 -46.66 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.37 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 45.2 mt -56.0 -33.84 65.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.138 -0.689 . . . . 1.0 109.138 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 62.6 tp -71.44 -45.98 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.602 -0.726 . . . . 1.0 109.465 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 53.3 t-105 -51.19 -21.06 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.17 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.97 -26.38 65.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.336 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.622 ' HD1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.55 -5.75 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.622 ' N ' ' HD1' ' B' ' 119' ' ' HIS . 70.9 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' C' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.976 0.417 . . . . 1.0 110.533 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt -55.31 -11.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.1 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' C' ' 28' ' ' GLU . 16.2 p-10 -60.21 -61.04 2.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.442 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' C' ' 30' ' ' ALA . 66.4 mt-10 -107.08 -44.9 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.744 0.307 . . . . 1.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' C' ' 30' ' ' ALA . . . -57.99 -3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.769 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.91 -39.31 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.611 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.61 -35.61 11.0 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.266 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -63.22 -41.64 99.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.044 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.27 1.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.575 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -44.49 -36.26 2.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -66.81 -58.72 7.9 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 109.381 -1.488 . . . . 1.0 109.381 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.73 -34.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -6.38 9.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.283 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' C' ' 35' ' ' GLY . 23.5 t -103.37 -24.7 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.365 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' C' ' 39' ' ' LEU . 9.3 mp -92.04 -48.54 6.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.087 0.47 . . . . 1.0 110.613 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -41.92 77.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.067 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.46 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.56 -37.65 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.9 -48.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.575 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.474 ' CG1' ' N ' ' C' ' 45' ' ' ALA . 4.4 pt -72.84 -47.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.255 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' C' ' 44' ' ' ILE . . . -58.92 -34.73 72.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.53 -46.57 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -52.68 -44.95 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.367 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.28 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ALA . 45.7 p-10 -84.46 -160.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -98.85 -151.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.591 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.33 152.92 51.95 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.62 -59.87 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -173.48 -31.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.548 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.743 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -78.86 -48.05 15.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 1.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.29 -45.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.606 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.57 -50.49 32.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.998 0.428 . . . . 1.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' C' ' 62' ' ' VAL . 79.5 mt -46.8 -41.85 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.693 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.29 -50.0 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -51.23 -55.77 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.707 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -63.96 -63.01 1.27 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.043 0.449 . . . . 1.0 110.494 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' C' ' 58' ' ' LEU . 45.0 t -51.44 -31.97 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.877 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttm -58.88 -30.95 68.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.372 -0.531 . . . . 1.0 109.951 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.95 -45.04 90.93 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.19 -33.76 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.938 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' C' ' 70' ' ' ILE . 31.0 mtt -62.47 -49.82 73.87 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.325 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.41 -30.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.643 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.42 -28.64 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.761 0.315 . . . . 1.0 111.601 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -95.35 -57.22 2.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.751 0.31 . . . . 1.0 111.031 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' C' ' 73' ' ' SER . 44.7 mm -62.41 -60.29 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.22 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.43 -36.6 44.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.242 -0.583 . . . . 1.0 109.982 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.49 -11.11 60.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.516 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.2 p -89.72 -54.24 4.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.931 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.47 -52.06 67.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.575 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' C' ' 76' ' ' GLU . 10.7 tp -50.42 -46.1 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.454 ' N ' ' CG2' ' C' ' 75' ' ' ILE . 15.1 tt0 -79.82 -23.61 41.94 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.888 -0.325 . . . . 1.0 111.043 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.11 -54.79 42.93 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.733 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.99 -31.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.52 -33.72 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.202 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -83.0 -108.18 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.444 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' C' ' 83' ' ' GLY . 73.7 mtp180 -104.6 6.14 34.28 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.359 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 77' ' ' ALA . 5.7 mt 67.13 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' C' ' 81' ' ' ARG . . . 105.87 1.72 39.51 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.441 ' OG ' ' CE2' ' C' ' 86' ' ' TYR . 4.3 t 65.44 59.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.08 88.25 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.441 ' CE2' ' OG ' ' C' ' 84' ' ' SER . 56.9 m-85 -78.94 -31.59 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 2.2 m-70 -58.69 -63.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.612 ' C ' ' H ' ' C' ' 90' ' ' SER . 5.8 tt0 32.82 -146.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.231 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 tp 62.63 -27.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' SER . . . . . 0.612 ' H ' ' C ' ' C' ' 88' ' ' GLU . 12.4 m -52.88 -1.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.849 0.314 . . . . 1.0 111.849 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.26 172.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.535 -1.026 . . . . 1.0 110.535 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -89.97 -24.49 21.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.3 0.571 . . . . 1.0 109.465 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.69 -52.55 43.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.812 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 98' ' ' SER . 31.8 mttt -69.16 -28.39 66.38 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.847 0.356 . . . . 1.0 111.029 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 80.6 m-20 -44.17 -41.54 5.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.848 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 30' ' ' ALA . 6.1 mtp -82.09 -50.39 9.11 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.895 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -61.18 -46.63 94.1 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' SER . . . . . 0.452 ' N ' ' O ' ' C' ' 94' ' ' LYS . 66.4 m -49.32 -31.11 8.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.813 0.339 . . . . 1.0 111.041 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.77 -53.14 4.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.4 -21.94 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.851 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.541 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 12.2 p -72.15 -62.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 120.761 -0.376 . . . . 1.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.541 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 9.4 tp -52.94 -44.75 67.29 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.857 0.836 . . . . 1.0 109.457 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' C' ' 106' ' ' ILE . 28.2 mm -75.11 -22.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -38.19 -48.95 1.32 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.123 0.487 . . . . 1.0 110.721 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.7 pt -69.64 -40.73 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.31 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' C' ' 103' ' ' ILE . 89.5 mt -70.68 -34.75 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.318 -0.553 . . . . 1.0 112.296 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.66 ' CG1' ' H ' ' C' ' 108' ' ' ALA . 9.3 p -82.86 -71.18 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.66 ' H ' ' CG1' ' C' ' 107' ' ' VAL . . . -38.82 -28.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 1.0 111.516 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' C' ' 105' ' ' ILE . 86.5 t -86.05 -80.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.626 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 47.0 mt -48.72 -24.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.118 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 49.4 m -59.46 -53.68 55.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 1.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.24 -22.44 11.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.338 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.5 -57.44 10.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.6 . . . . 1.0 111.393 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.508 HD11 ' H ' ' C' ' 114' ' ' ILE . 1.8 mp -65.23 -46.55 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.29 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.97 -33.82 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 62.5 tp -71.46 -46.0 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.528 -0.76 . . . . 1.0 109.488 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.1 -21.08 1.7 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.281 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 -26.42 66.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.285 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.63 ' HD1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -63.47 -5.88 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.63 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 70.8 t80 -78.98 -98.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.509 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.004 -1.442 . . . . 1.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 m0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.792 0.329 . . . . 1.0 110.675 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.9 mp -80.1 -29.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.151 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -108.3 41.66 1.52 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.211 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 30' ' ' ALA . 30.9 tt0 -176.68 -90.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.099 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -68.87 4.44 1.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.382 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TRP . . . -36.36 -34.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.567 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 52.1 p90 -94.32 -41.35 9.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.028 0.442 . . . . 1.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 57.8 ttt-85 -64.81 -26.49 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.02 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.0 -61.27 2.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.745 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.26 -30.3 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.471 -0.786 . . . . 1.0 111.463 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.57 -59.18 1.55 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.002 -0.618 . . . . 1.0 112.118 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.09 -33.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.171 -0.606 . . . . 1.0 110.541 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.57 -58.84 6.32 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.06 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -39.02 -20.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.944 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.56 -54.36 4.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' ALA . 20.1 mt -58.02 -34.78 70.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.027 -0.988 . . . . 1.0 110.062 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.56 61.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.799 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 t -85.89 -44.14 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.6 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.76 -46.44 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.596 -0.441 . . . . 1.0 110.707 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 10.1 tp -73.82 -48.1 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.621 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -52.31 -34.31 46.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 1.0 110.344 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.18 -44.86 95.66 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.766 -0.457 . . . . 1.0 109.766 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 6.4 m0 -73.54 -42.89 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -84.74 171.43 12.32 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.129 -0.323 . . . . 1.0 110.129 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 -150.28 0.3 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.59 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 t -146.93 159.96 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.188 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 30.5 t0 -153.34 -139.29 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.517 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -60.1 -176.91 0.05 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -155.35 19.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.114 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.695 ' HG1' HH21 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.57 0.3 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.013 0.435 . . . . 1.0 110.186 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.695 HH21 ' HG1' ' A' ' 54' ' ' THR . 5.1 mmp_? -60.01 -40.5 89.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.542 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 53' ' ' ILE . 54.8 t -45.92 -31.99 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.213 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -51.06 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.609 -0.437 . . . . 1.0 109.882 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -49.08 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.989 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' MET . 85.5 mt -66.86 -55.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 1.0 109.92 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.23 -36.41 3.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.05 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -62.58 -59.85 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.43 -27.43 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.098 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ILE . 27.4 ttp -58.79 -40.32 83.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.94 -34.75 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.61 -32.05 52.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.966 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.9 mmm -54.43 -48.73 71.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.418 HD11 HG21 ' A' ' 67' ' ' ILE . 89.9 mt -50.29 -27.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.814 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.63 -27.25 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.755 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.21 -52.84 3.54 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.775 0.321 . . . . 1.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' MET . 35.8 mm -63.81 -58.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.54 -35.74 54.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.74 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.39 -9.8 59.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.118 0.485 . . . . 1.0 109.964 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 p -88.04 -49.71 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.474 -0.785 . . . . 1.0 110.161 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.27 77.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.806 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 pt -66.64 -14.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.123 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -93.98 -34.68 12.95 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.86 -42.93 65.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.902 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 m -83.28 -27.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.678 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.85 -106.9 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.012 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.45 -54.76 2.47 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.795 0.294 . . . . 1.0 111.795 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.84 138.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.846 0.355 . . . . 1.0 110.049 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -96.44 -37.04 4.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 60.2 p 53.86 84.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 1.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -52.89 164.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 88' ' ' GLU . 64.3 t80 -83.54 -14.99 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.729 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' H ' ' HD1' ' A' ' 87' ' ' HIS . 18.0 m80 -55.29 -10.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.911 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 86' ' ' TYR . 33.2 mt-10 -56.76 102.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.1 tp -174.81 -49.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.693 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.62 30.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.183 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.63 170.09 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' SD ' ' A' ' 96' ' ' MET . 35.3 ptt85 -86.46 -23.28 26.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.984 0.421 . . . . 1.0 110.179 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.5 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HZ2' ' ND2' ' B' ' 27' ' ' ASN . 37.7 mttp -66.29 -28.18 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.921 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.87 -40.56 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 1.0 110.649 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.561 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.1 mpt? -70.21 -44.33 68.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.61 -34.33 89.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.488 ' HG ' ' N ' ' A' ' 99' ' ' ALA . 21.2 p -49.86 -32.3 14.07 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.933 0.397 . . . . 1.0 111.208 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.488 ' N ' ' HG ' ' A' ' 98' ' ' SER . . . -95.03 -52.39 4.24 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -58.14 -24.17 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.328 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.549 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 13.8 p -68.44 -60.21 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.555 -0.458 . . . . 1.0 110.138 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.549 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 12.7 mt -52.21 -44.75 64.93 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.704 -0.798 . . . . 1.0 109.516 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 106' ' ' ILE . 31.5 mt -74.45 -24.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -41.82 -49.86 4.4 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.847 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -62.64 -38.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 103' ' ' ILE . 22.4 mm -72.51 -30.59 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 120.589 -0.444 . . . . 1.0 110.913 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 109' ' ' VAL . 92.7 t -65.36 -77.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.067 0.461 . . . . 1.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.41 -24.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.468 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' VAL . 91.2 t -87.28 -84.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 1.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.46 -25.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.099 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 60.6 m -59.31 -52.81 64.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.888 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.89 -30.97 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.106 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.75 -59.07 5.72 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.258 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.952 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.15 -49.99 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.196 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.66 -20.53 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.75 -24.69 66.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.735 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -62.65 -15.5 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.984 -179.324 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 92.5 t80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.012 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' B' ' 30' ' ' ALA . 38.6 m0 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.785 0.326 . . . . 1.0 110.696 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' B' ' 26' ' ' ILE . 1.9 mp -80.21 -28.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.185 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' ND2' ' HZ2' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -108.24 41.54 1.54 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.206 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' B' ' 30' ' ' ALA . 31.0 tt0 -176.63 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.857 0.361 . . . . 1.0 111.023 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 4.45 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.192 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 25' ' ' TRP . . . -36.4 -34.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 1.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 52.0 p90 -94.36 -41.41 9.43 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.121 0.486 . . . . 1.0 110.574 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.569 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 57.8 ttt-85 -64.71 -26.48 68.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.059 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.01 -61.41 2.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.698 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.2 -30.28 49.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.441 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.64 -59.18 1.55 Allowed Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.037 -0.602 . . . . 1.0 112.052 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.0 -33.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 122.199 -0.589 . . . . 1.0 110.516 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.58 -58.95 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -38.82 -20.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.926 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.67 -54.27 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 37' ' ' ALA . 20.2 mt -58.08 -34.8 70.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.135 -0.939 . . . . 1.0 109.998 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.69 -25.57 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 1.0 111.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 t -85.83 -44.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 111.678 0.251 . . . . 1.0 111.678 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 15.7 m -57.8 -46.3 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.758 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 10.1 tp -73.94 -48.03 40.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.58 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.479 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -52.39 -34.22 46.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.318 . . . . 1.0 110.382 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.5 t -62.28 -44.65 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.836 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' B' ' 47' ' ' TRP . 6.6 m0 -73.67 -42.93 60.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' B' ' 48' ' ' LEU . 3.8 mm? -84.73 171.51 12.27 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.64 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 t -146.88 159.97 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.277 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 30.3 t0 -153.32 -139.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.501 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -60.18 -176.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.595 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -155.4 19.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.196 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.593 ' HG1' HH21 ' B' ' 55' ' ' ARG . 0.0 OUTLIER -42.98 -28.7 0.28 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.034 0.445 . . . . 1.0 110.183 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.593 HH21 ' HG1' ' B' ' 54' ' ' THR . 5.0 mmp_? -59.9 -40.64 89.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.576 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' B' ' 53' ' ' ILE . 54.6 t -45.86 -31.85 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.226 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -50.95 71.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 109.874 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -49.02 73.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.912 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' MET . 85.9 mt -66.87 -55.48 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.939 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.32 -36.39 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.98 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.44 -59.92 4.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 -27.46 41.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.128 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.43 ' N ' ' O ' ' B' ' 59' ' ' ILE . 27.2 ttp -58.69 -40.37 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.092 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.02 -34.76 63.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.44 -32.09 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.0 109.987 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 44.2 mmm -54.47 -48.68 71.51 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.36 -27.91 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.325 -0.55 . . . . 1.0 109.774 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.64 -27.21 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.863 0.319 . . . . 1.0 111.863 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.23 -52.77 3.56 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.713 0.292 . . . . 1.0 111.332 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' MET . 35.7 mm -63.75 -58.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.5 -0.555 . . . . 1.0 109.5 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.51 -35.75 53.78 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.287 -0.565 . . . . 1.0 109.69 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.4 -9.79 59.06 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 121.183 0.516 . . . . 1.0 110.002 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 77' ' ' ALA . 1.4 p -88.06 -49.63 6.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.22 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -49.45 77.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.752 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 pt -66.53 -14.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.142 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 80' ' ' ASP . 73.0 tt0 -94.01 -34.7 12.93 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.57 -50.0 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.83 -42.96 65.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.964 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.35 -26.9 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.683 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' B' ' 76' ' ' GLU . 22.1 t0 -81.86 -106.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.44 -54.8 2.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.85 138.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' B' ' 84' ' ' SER . . . -96.38 -37.2 4.89 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 83' ' ' GLY . 60.3 p 53.89 84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 1.0 110.584 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.83 164.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.04 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' B' ' 88' ' ' GLU . 64.6 t80 -83.64 -14.91 50.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.652 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.402 ' H ' ' HD1' ' B' ' 87' ' ' HIS . 17.9 m80 -55.23 -10.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.957 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' B' ' 86' ' ' TYR . 33.2 mt-10 -56.72 102.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.193 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.0 tp -174.7 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.61 30.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.171 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.6 170.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.473 ' O ' ' SD ' ' B' ' 96' ' ' MET . 35.2 ptt85 -86.53 -23.12 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.015 0.436 . . . . 1.0 110.192 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.45 72.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.482 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -66.28 -28.21 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.93 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.81 -40.59 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 1.0 110.747 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.1 mpt? -70.18 -44.37 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 1.0 109.982 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.64 -34.28 89.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.3 p -49.92 -32.25 14.26 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.898 0.38 . . . . 1.0 111.176 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . 0.418 ' CB ' ' SD ' ' C' ' 66' ' ' MET . . . -94.99 -52.38 4.26 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -58.28 -24.03 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.31 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.551 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 13.8 p -68.49 -60.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.188 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.551 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 13.7 mt -52.11 -44.92 64.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.76 -0.776 . . . . 1.0 109.405 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 106' ' ' ILE . 31.4 mt -74.47 -24.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.158 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -41.83 -49.88 4.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.816 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -62.59 -38.1 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 103' ' ' ILE . 22.4 mm -72.42 -30.67 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.926 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 93.4 t -65.36 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.994 0.426 . . . . 1.0 110.492 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.43 -24.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 91.9 t -87.24 -84.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 1.0 110.744 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.44 -25.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.041 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 59.9 m -59.28 -52.82 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.864 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.88 -30.87 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.158 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.8 -59.06 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.3 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.67 -40.26 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.987 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.39 -49.84 74.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.378 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 9.5 mp -71.57 -47.17 56.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.081 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.68 -20.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 1.0 110.682 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' SER . . . . . 0.452 ' HG ' ' C ' ' C' ' 49' ' ' ASP . 20.2 t -66.71 -24.66 66.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.805 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' B' ' 116' ' ' LEU . 0.3 OUTLIER -62.71 -15.49 53.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.949 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.423 ' N ' ' CD2' ' B' ' 119' ' ' HIS . 92.4 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.955 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' C' ' 30' ' ' ALA . 38.6 m0 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.729 0.299 . . . . 1.0 110.685 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' C' ' 26' ' ' ILE . 1.9 mp -80.18 -28.96 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.13 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' C' ' 27' ' ' ASN . 0.8 OUTLIER -108.4 41.58 1.54 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.138 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' C' ' 30' ' ' ALA . 31.0 tt0 -176.62 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.075 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.81 4.44 1.48 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.256 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' C' ' 25' ' ' TRP . . . -36.36 -34.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 1.0 111.607 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 52.1 p90 -94.38 -41.39 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.0 110.602 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.572 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 57.9 ttt-85 -64.78 -26.53 68.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.993 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.97 -61.33 2.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.725 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.25 -30.25 49.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.508 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.7 -59.12 1.54 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.064 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 p -46.97 -33.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.216 -0.579 . . . . 1.0 110.571 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.55 -58.9 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.039 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -38.91 -20.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.979 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.59 -54.33 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' C' ' 37' ' ' ALA . 20.3 mt -58.11 -34.77 70.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.098 -0.956 . . . . 1.0 109.945 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.53 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.765 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.1 t -85.82 -44.23 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.65 0.241 . . . . 1.0 111.65 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 15.7 m -57.73 -46.27 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.794 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 10.1 tp -73.96 -48.11 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.47 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.467 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -52.29 -34.33 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 1.0 110.397 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.26 -44.72 95.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.852 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . 0.537 ' CD1' ' N ' ' C' ' 47' ' ' TRP . 6.4 m0 -73.6 -42.84 61.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.604 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' C' ' 48' ' ' LEU . 3.8 mm? -84.76 171.48 12.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.76 0.314 . . . . 1.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . 0.452 ' C ' ' HG ' ' B' ' 118' ' ' SER . 3.9 m-20 -94.58 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 t -146.85 159.99 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.249 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 30.6 t0 -153.33 -139.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.584 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.531 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -60.14 -176.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.2 OUTLIER -155.36 19.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.167 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' THR . . . . . 0.692 ' HG1' HH21 ' C' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.58 0.3 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.119 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.692 HH21 ' HG1' ' C' ' 54' ' ' THR . 5.0 mmp_? -59.91 -40.53 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.634 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 53' ' ' ILE . 54.7 t -45.98 -31.88 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.246 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.69 -51.02 71.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 1.0 109.896 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.05 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.953 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.91 -55.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.942 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 28.3 t -45.29 -36.39 4.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.995 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.61 -59.74 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.49 -27.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.109 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 27.4 ttp -58.69 -40.42 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.89 -34.73 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 11.8 t -61.69 -31.98 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.512 ' O ' ' N ' ' C' ' 70' ' ' ILE . 44.3 mmm -54.47 -48.69 71.48 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . 0.412 HD13 HG21 ' C' ' 67' ' ' ILE . 89.5 mt -50.35 -27.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.365 -0.534 . . . . 1.0 109.782 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.79 -27.09 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.792 0.294 . . . . 1.0 111.792 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -98.2 -52.85 3.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.726 0.298 . . . . 1.0 111.303 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' C' ' 66' ' ' MET . 35.9 mm -63.74 -58.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.43 -35.73 52.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.151 -0.619 . . . . 1.0 109.757 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.36 -9.86 59.14 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.12 0.486 . . . . 1.0 110.008 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.403 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.4 p -88.03 -49.64 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.196 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.39 77.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.817 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 10.5 pt -66.68 -14.27 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.08 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.05 -34.58 12.95 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -50.0 72.81 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.428 -0.805 . . . . 1.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.8 -43.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.856 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.33 -26.99 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.76 -106.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -104.41 -54.81 2.46 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.808 0.299 . . . . 1.0 111.808 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.404 HG22 HD13 ' C' ' 82' ' ' ILE . 0.4 OUTLIER 64.85 138.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.894 0.378 . . . . 1.0 110.056 -178.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.418 ' O ' ' OG ' ' C' ' 84' ' ' SER . . . -96.36 -37.03 4.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' C' ' 83' ' ' GLY . 60.2 p 53.86 84.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.729 0.299 . . . . 1.0 110.521 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.85 164.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.046 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' C' ' 88' ' ' GLU . 64.2 t80 -83.65 -14.86 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.685 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.404 ' H ' ' HD1' ' C' ' 87' ' ' HIS . 18.0 m80 -55.34 -10.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.947 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' C' ' 86' ' ' TYR . 33.2 mt-10 -56.78 102.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.121 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.1 tp -174.74 -48.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.78 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.67 30.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.184 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.66 170.13 0.05 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.459 ' O ' ' SD ' ' C' ' 96' ' ' MET . 35.3 ptt85 -86.52 -23.2 25.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 110.172 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.32 72.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.467 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -66.33 -28.26 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.78 -40.55 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 1.0 110.713 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.1 mpt? -70.3 -44.38 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -64.57 -34.3 89.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.1 p -49.9 -32.28 14.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 1.0 111.22 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 66' ' ' MET . . . -94.98 -52.32 4.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -58.28 -24.14 58.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.256 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.542 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 13.9 p -68.44 -60.18 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.165 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.542 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 12.6 mt -52.17 -44.8 64.81 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.685 -0.806 . . . . 1.0 109.464 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' C' ' 106' ' ' ILE . 31.6 mt -74.44 -24.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.167 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -41.73 -49.93 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.854 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -62.62 -38.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' C' ' 103' ' ' ILE . 22.4 mm -72.55 -30.55 34.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.514 -0.474 . . . . 1.0 110.909 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 93.5 t -65.37 -77.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.03 0.443 . . . . 1.0 110.466 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.54 -23.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.488 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 91.3 t -87.27 -84.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.54 -25.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.12 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -59.33 -52.89 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.831 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.74 -31.01 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.144 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.8 -58.98 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.461 -0.496 . . . . 1.0 111.24 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -64.78 -40.27 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.859 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.17 -50.0 74.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.427 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.099 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.74 -20.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.979 0.419 . . . . 1.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 20.0 t -66.67 -24.7 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.8 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.3 OUTLIER -62.65 -15.55 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.949 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.4 t80 43.67 -88.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.951 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 m0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 1.0 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.23 -13.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.85 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.883 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' C ' ' H ' ' A' ' 30' ' ' ALA . 88.7 mt-10 -139.0 -41.4 0.47 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -62.29 1.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 1.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -44.0 -21.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.705 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' ' SD ' ' C' ' 96' ' ' MET . 53.4 m-85 -72.2 -49.95 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.362 0.601 . . . . 1.0 109.518 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.38 -32.12 73.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.14 -65.46 0.66 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -40.7 -32.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.895 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.67 7.73 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -49.5 -37.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -8.92 27.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.219 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -94.38 -23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.635 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.4 mp -90.2 -62.51 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.064 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.2 mp -49.24 -41.93 39.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.85 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.72 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.583 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -76.38 -38.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.792 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.0 t -47.03 -43.3 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.484 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.97 -45.42 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.151 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -64.79 -54.12 36.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -62.08 -56.61 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.767 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.79 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' ALA . 29.4 mt -102.07 -146.48 0.36 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.393 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.44 -150.17 0.46 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.98 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.452 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 17.4 t70 -161.75 -147.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.515 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -83.23 -174.57 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.233 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 36.6 pt -64.51 -28.76 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.74 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ILE . 67.8 p -35.52 -28.63 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.932 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' ILE . 27.5 ttp85 -79.47 -49.26 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.361 0.6 . . . . 1.0 110.162 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ILE . 2.5 t -72.02 -36.01 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.934 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' CD1' ' HE ' ' C' ' 55' ' ' ARG . 5.2 tp -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.2 -44.78 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.837 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mt -76.94 -47.18 28.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.341 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 61' ' ' SER . 6.1 p -46.8 -55.71 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.714 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 60' ' ' SER . 38.8 p -63.53 -56.5 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.407 . . . . 1.0 110.362 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.412 ' N ' ' OG ' ' A' ' 61' ' ' SER . 54.7 t -50.73 -37.62 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.158 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 63' ' ' MET . 15.7 tmm? -68.79 -44.52 73.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.765 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 mt -55.91 -51.86 66.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.724 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 p -63.09 -30.91 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.33 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -39.5 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.079 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.48 -39.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -87.58 -33.61 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.971 -0.292 . . . . 1.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.5 mt-10 -88.63 -81.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.6 -0.44 . . . . 1.0 110.457 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' SER . 13.6 mt -38.6 -51.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.102 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.3 -37.11 34.8 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 119.39 -0.924 . . . . 1.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.518 ' ND2' ' HG ' ' C' ' 84' ' ' SER . 26.8 t-20 -79.58 -13.97 59.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.181 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.7 t -90.09 -56.11 3.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.758 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.1 tt -50.95 -37.0 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.704 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -86.17 -23.99 26.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.364 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.07 -53.13 61.74 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.423 -0.511 . . . . 1.0 109.708 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.01 -33.3 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.54 -24.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.826 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -80.47 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.496 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 76.0 mtt85 -104.02 -58.96 1.8 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.405 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER 164.85 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.749 0.656 . . . . 1.0 109.575 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.531 ' H ' ' CG1' ' A' ' 82' ' ' ILE . . . 110.84 6.35 26.56 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 114.937 -1.029 . . . . 1.0 110.588 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -152.61 91.81 1.61 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' TYR . 10.6 pt-20 -92.81 -43.91 8.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.869 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 55.9 m-85 -86.1 -25.32 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.814 0.34 . . . . 1.0 111.296 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.527 ' CG ' ' OG ' ' A' ' 84' ' ' SER . 55.2 m80 -55.87 -62.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.527 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.71 92.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.681 0.277 . . . . 1.0 111.006 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -172.0 -53.46 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.688 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 91' ' ' GLY . 13.9 t -69.31 23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.44 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.87 171.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -89.63 -19.69 24.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.6 -51.59 58.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.778 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.92 69.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.306 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' OG ' ' A' ' 98' ' ' SER . 50.9 m-20 -47.36 -35.09 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.554 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' B' ' 31' ' ' PHE . 23.8 mtt -78.85 -46.67 18.14 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.442 -0.503 . . . . 1.0 110.181 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.07 -35.71 92.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.325 -1.11 . . . . 1.0 110.325 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 23.4 p -54.52 -26.87 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 1.0 111.281 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.97 -51.13 5.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -21.95 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.983 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 t -67.43 -65.97 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.798 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.24 -46.42 72.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.665 0.745 . . . . 1.0 109.718 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.4 mp -67.44 -20.23 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.233 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 101' ' ' VAL . . . -45.41 -49.66 13.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.762 0.315 . . . . 1.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 1.0 110.004 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 106' ' ' ILE . 25.6 mm -63.31 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.024 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 109' ' ' VAL . 87.5 t -67.47 -73.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.62 -24.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.412 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 107' ' ' VAL . 86.0 t -92.98 -87.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 1.0 110.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.11 -35.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.307 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 12.0 m -59.68 -53.52 57.01 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.485 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.428 ' O ' ' CD1' ' A' ' 112' ' ' TRP . 15.2 t-105 -57.55 -28.21 63.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.79 -57.53 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 tp -65.78 -46.74 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.443 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.88 -36.76 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.03 -49.08 39.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.744 . . . . 1.0 110.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -63.89 -34.29 77.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 t -59.22 -37.42 77.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -64.89 -44.26 90.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.643 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 42.1 m0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.812 0.339 . . . . 1.0 110.823 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.36 -13.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.83 -63.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.921 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' B' ' 30' ' ' ALA . 88.5 mt-10 -139.0 -41.58 0.47 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.029 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -62.42 1.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 1.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -44.02 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.65 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 53.7 m-85 -72.14 -49.96 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.325 0.583 . . . . 1.0 109.474 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.43 -32.01 73.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.116 -0.947 . . . . 1.0 109.811 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.2 -65.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -40.55 -32.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.021 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -55.59 7.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.49 -37.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.104 -0.332 . . . . 1.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -9.02 27.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -94.41 -22.84 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.731 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' B' ' 39' ' ' LEU . 9.4 mp -90.24 -62.54 1.44 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.068 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 9.2 mp -49.26 -41.94 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.84 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.7 76.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.612 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.45 -38.55 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.8 t -46.98 -43.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.508 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.93 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.979 0.419 . . . . 1.0 110.205 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -64.71 -54.27 34.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.94 -56.69 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.781 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.71 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' B' ' 45' ' ' ALA . 29.6 mt -102.16 -146.56 0.36 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.329 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.34 -150.22 0.46 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.91 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.443 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 17.5 t70 -161.8 -147.27 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.52 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -83.16 -174.62 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.304 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' B' ' 56' ' ' VAL . 36.9 pt -64.38 -28.83 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.776 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.418 ' C ' ' O ' ' B' ' 53' ' ' ILE . 69.6 p -35.47 -28.66 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.942 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 53' ' ' ILE . 27.7 ttp85 -79.61 -49.13 12.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.095 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 53' ' ' ILE . 2.5 t -72.03 -36.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.902 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.406 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 5.1 tp -47.99 -47.69 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -48.21 -44.91 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.804 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mt -76.85 -47.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.599 ' HG ' ' H ' ' B' ' 61' ' ' SER . 6.0 p -46.84 -55.71 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.715 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.599 ' H ' ' HG ' ' B' ' 60' ' ' SER . 39.0 p -63.53 -56.47 15.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 1.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.403 ' N ' ' OG ' ' B' ' 61' ' ' SER . 54.6 t -50.7 -37.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' B' ' 63' ' ' MET . 15.7 tmm? -68.81 -44.45 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.769 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.95 -51.94 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.682 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' B' ' 69' ' ' GLU . 6.4 p -63.03 -30.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.294 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -39.58 94.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.015 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.5 -39.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.65 -33.52 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.643 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' ASN . 31.6 mt-10 -88.79 -81.35 0.27 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 73' ' ' SER . 13.6 mt -38.55 -51.45 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.058 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.18 -37.23 33.83 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 119.423 -0.911 . . . . 1.0 109.775 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.7 t-20 -79.57 -13.97 59.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.035 0.445 . . . . 1.0 110.21 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 70' ' ' ILE . 2.7 t -90.02 -56.05 3.38 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.742 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.0 -36.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.4 -0.818 . . . . 1.0 109.694 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.32 -23.9 26.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.368 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.08 -53.24 60.53 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.95 -33.33 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.5 -24.26 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.825 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -80.47 -110.04 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.412 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.539 ' O ' ' CG2' ' B' ' 82' ' ' ILE . 75.9 mtt85 -104.0 -58.97 1.8 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.359 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.539 ' CG2' ' O ' ' B' ' 81' ' ' ARG . 0.6 OUTLIER 164.8 -90.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 121.412 0.625 . . . . 1.0 109.589 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.52 ' H ' ' CG1' ' B' ' 82' ' ' ILE . . . 110.83 6.32 26.6 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.657 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.529 ' OG ' ' CG ' ' B' ' 87' ' ' HIS . 0.2 OUTLIER -152.51 91.72 1.61 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.711 -0.477 . . . . 1.0 109.711 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' B' ' 86' ' ' TYR . 10.6 pt-20 -92.8 -43.79 8.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.909 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.436 ' N ' ' CG ' ' B' ' 85' ' ' GLU . 56.0 m-85 -86.12 -25.44 25.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.777 0.323 . . . . 1.0 111.256 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.529 ' CG ' ' OG ' ' B' ' 84' ' ' SER . 55.8 m80 -55.75 -62.22 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.486 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -39.75 92.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.762 0.315 . . . . 1.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.2 OUTLIER -171.98 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.745 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 14.0 t -69.3 23.35 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.404 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.85 171.62 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.65 -19.67 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.069 0.462 . . . . 1.0 109.878 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.62 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.868 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.93 69.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.212 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.439 ' O ' ' OG ' ' B' ' 98' ' ' SER . 51.3 m-20 -47.37 -35.1 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.527 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.583 ' SD ' ' CD1' ' C' ' 31' ' ' PHE . 24.3 mtt -78.79 -46.75 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.474 -0.491 . . . . 1.0 110.22 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.03 -35.71 92.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.273 -1.131 . . . . 1.0 110.273 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 23.1 p -54.64 -26.9 35.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.52 0.2 . . . . 1.0 111.152 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.95 -51.04 5.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.643 -0.503 . . . . 1.0 109.643 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.0 65.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' B' ' 97' ' ' GLY . 6.5 t -67.41 -65.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 120.984 -0.286 . . . . 1.0 110.75 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.2 -46.48 72.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.674 0.749 . . . . 1.0 109.705 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' B' ' 103' ' ' ILE . 1.4 mp -67.47 -20.28 26.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.155 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 101' ' ' VAL . . . -45.42 -49.61 13.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.031 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.9 -42.43 94.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.994 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.442 HD12 HG23 ' B' ' 106' ' ' ILE . 25.7 mm -63.2 -30.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.029 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 109' ' ' VAL . 87.3 t -67.4 -72.91 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.798 -0.445 . . . . 1.0 109.798 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.72 -24.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.597 -0.729 . . . . 1.0 111.477 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 107' ' ' VAL . 86.1 t -92.95 -87.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 1.0 110.525 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 mt -45.2 -35.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.288 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 11.8 m -59.65 -53.6 56.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' B' ' 112' ' ' TRP . 15.3 t-105 -57.52 -28.17 63.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.76 -57.62 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.075 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.69 -46.74 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.462 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.93 -36.78 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.864 -0.791 . . . . 1.0 108.864 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.09 -48.98 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.359 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -64.0 -34.17 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -59.26 -37.51 77.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.642 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.639 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.579 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 m0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.754 0.311 . . . . 1.0 110.719 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.33 -13.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.97 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.917 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' C' ' 30' ' ' ALA . 88.4 mt-10 -139.03 -41.39 0.47 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.873 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -62.31 1.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 1.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -44.0 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.636 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.583 ' CD1' ' SD ' ' B' ' 96' ' ' MET . 53.2 m-85 -72.22 -50.01 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.372 0.606 . . . . 1.0 109.473 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.44 -32.01 73.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.062 -0.972 . . . . 1.0 109.827 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.19 -65.35 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -40.79 -32.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.886 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.02 -55.67 7.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -49.4 -37.44 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.095 -0.335 . . . . 1.0 110.095 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.14 -8.99 27.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.205 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.39 -22.92 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' C' ' 39' ' ' LEU . 9.4 mp -90.14 -62.76 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.073 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 9.2 mp -48.94 -42.1 36.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.854 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.62 76.61 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.617 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.4 -38.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.06 -43.2 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.448 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.431 HG22 HD13 ' C' ' 44' ' ' ILE . 14.4 mm -62.92 -45.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 1.0 110.189 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -64.66 -54.29 34.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.02 -56.68 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.743 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -54.65 -53.7 51.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.506 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' C' ' 45' ' ' ALA . 29.5 mt -102.27 -146.49 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.5 -150.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.526 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 m -97.91 -179.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 17.3 t70 -161.88 -147.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.516 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -83.23 -174.57 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.311 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' C' ' 56' ' ' VAL . 36.4 pt -64.44 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.685 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' C' ' 53' ' ' ILE . 67.8 p -35.43 -28.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.9 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' C' ' 53' ' ' ILE . 27.7 ttp85 -79.46 -49.27 12.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.3 0.571 . . . . 1.0 110.176 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' C' ' 53' ' ' ILE . 2.5 t -71.93 -36.11 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.963 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . 0.421 ' CD1' ' HE ' ' B' ' 55' ' ' ARG . 5.1 tp -47.89 -47.77 31.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.924 -0.399 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -48.05 -45.09 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.774 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mt -76.75 -47.31 28.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.407 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' C' ' 61' ' ' SER . 5.9 p -46.69 -55.69 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.745 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' SER . . . . . 0.444 ' N ' ' OG ' ' C' ' 60' ' ' SER . 40.1 p -63.59 -56.4 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 1.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.41 ' N ' ' OG ' ' C' ' 61' ' ' SER . 54.7 t -50.71 -37.77 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.104 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' C' ' 63' ' ' MET . 15.7 tmm? -68.66 -44.57 73.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.83 -51.94 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.74 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.465 ' CG2' ' OE2' ' C' ' 69' ' ' GLU . 6.4 p -63.05 -30.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.39 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -39.5 94.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.116 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.38 -39.76 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 37.3 t -87.6 -33.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.673 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' C' ' 72' ' ' ASN . 31.5 mt-10 -88.72 -81.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.468 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' C' ' 73' ' ' SER . 13.5 mt -38.57 -51.42 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.992 -0.283 . . . . 1.0 111.08 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.3 -37.05 34.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 119.421 -0.912 . . . . 1.0 109.812 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.7 t-20 -79.66 -13.99 59.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.145 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.461 ' N ' ' O ' ' C' ' 70' ' ' ILE . 2.7 t -90.0 -56.13 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.553 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -51.72 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 7.1 tt -50.87 -37.01 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.741 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.29 -23.84 26.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.402 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.1 -53.18 61.19 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.452 -0.499 . . . . 1.0 109.727 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.02 -33.25 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.894 -0.78 . . . . 1.0 108.894 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -24.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.834 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.48 -110.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.441 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.538 ' O ' ' CG2' ' C' ' 82' ' ' ILE . 75.9 mtt85 -103.91 -59.0 1.79 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.39 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' C' ' 81' ' ' ARG . 0.6 OUTLIER 164.78 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.443 0.64 . . . . 1.0 109.627 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.529 ' H ' ' CG1' ' C' ' 82' ' ' ILE . . . 110.92 6.24 26.5 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.613 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.522 ' OG ' ' CG ' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -152.48 91.83 1.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' C' ' 86' ' ' TYR . 10.7 pt-20 -92.86 -43.87 8.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.904 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' C' ' 85' ' ' GLU . 56.0 m-85 -86.13 -25.3 25.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.78 0.324 . . . . 1.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.522 ' CG ' ' OG ' ' C' ' 84' ' ' SER . 55.3 m80 -55.85 -62.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.593 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.9 92.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 1.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.2 OUTLIER -171.97 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.783 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' C' ' 91' ' ' GLY . 14.0 t -69.38 23.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.404 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.82 171.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.669 -0.973 . . . . 1.0 110.669 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.59 -19.7 24.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.164 0.507 . . . . 1.0 109.935 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.54 59.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.838 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -67.96 -29.97 69.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.222 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . 0.427 ' O ' ' OG ' ' C' ' 98' ' ' SER . 51.2 m-20 -47.23 -35.18 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.601 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD1' ' A' ' 31' ' ' PHE . 24.1 mtt -78.72 -46.8 18.18 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.197 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -63.93 -35.84 92.52 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 1.0 110.335 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 23.4 p -54.49 -26.88 34.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.548 0.213 . . . . 1.0 111.223 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.08 -22.04 65.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.982 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' C' ' 97' ' ' GLY . 6.6 t -67.33 -65.91 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.791 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.28 -46.42 72.71 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.638 0.732 . . . . 1.0 109.73 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' C' ' 103' ' ' ILE . 1.4 mp -67.52 -20.06 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.398 -0.819 . . . . 1.0 110.254 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.63 -49.58 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.92 -42.43 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.0 109.942 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.413 HG22 HD11 ' C' ' 106' ' ' ILE . 25.6 mm -63.21 -30.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.995 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 109' ' ' VAL . 88.7 t -67.3 -73.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.53 -24.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.49 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' C' ' 107' ' ' VAL . 86.4 t -92.93 -87.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.818 0.342 . . . . 1.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.13 -35.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.119 -0.492 . . . . 1.0 111.309 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 12.0 m -59.63 -53.57 56.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.581 -0.447 . . . . 1.0 110.504 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . 0.432 ' O ' ' CD1' ' C' ' 112' ' ' TRP . 15.4 t-105 -57.52 -28.23 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.8 -57.61 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.025 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 tp -65.72 -46.76 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.86 -36.79 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 24.3 tp -71.96 -49.13 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -63.91 -34.36 77.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.44 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -59.17 -37.49 77.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 1.0 110.674 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' C' ' 121' ' ' GLY . 21.6 m170 -64.83 -44.34 90.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.651 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.47 -86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' N ' ' CD1' ' A' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.878 0.37 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -57.89 -20.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.232 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -107.02 42.84 1.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 168.98 -72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.682 0.614 . . . . 1.0 109.591 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 4.74 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.01 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -38.96 -32.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.444 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 21.0 t80 -91.33 -46.09 8.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 1.0 110.77 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.64 -25.38 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.029 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.4 tt0 -59.86 -59.03 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.371 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -95.01 -48.05 2.53 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.3 t -56.28 -40.49 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 122.749 -0.265 . . . . 1.0 111.112 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.15 -71.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 1.0 110.513 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 4.4 p -39.97 -18.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.712 -0.676 . . . . 1.0 111.087 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -87.3 -55.95 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.643 -0.873 . . . . 1.0 108.643 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.8 tp -66.82 -34.9 78.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.623 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.28 63.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.982 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 37.3 t -89.25 -37.72 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.659 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.44 -47.88 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.79 -47.14 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -55.07 -36.59 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.6 m -62.68 -46.0 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.986 0.422 . . . . 1.0 110.01 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.68 -26.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.2 mt -139.68 -67.95 0.43 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ALA . 15.1 t0 64.9 87.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.959 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -153.22 14.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.458 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -49.9 152.94 1.43 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.27 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.13 -65.34 1.02 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.617 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.3 m -46.46 -45.69 18.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.9 -47.39 71.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.58 -45.13 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.396 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.03 -50.66 35.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.377 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.17 -51.47 53.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' MET . 15.1 mm -63.12 -56.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.206 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.9 -52.54 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -64.85 -62.96 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.23 -30.43 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.975 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' ILE . 24.7 ttm -63.37 -34.41 77.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.383 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.04 -48.15 69.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.025 0.441 . . . . 1.0 109.835 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.28 -33.77 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.397 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' GLU . 26.8 mtt -61.65 -45.42 94.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mm -45.1 -24.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.274 -0.571 . . . . 1.0 110.056 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.91 -31.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 1.0 110.732 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 66' ' ' MET . 27.6 mt-10 -93.44 -55.34 3.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.526 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 73' ' ' SER . 49.1 mt -65.71 -58.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.518 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.02 -35.68 47.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.094 -0.642 . . . . 1.0 109.708 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.1 t-20 -71.31 -13.83 62.01 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -90.64 -53.07 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.14 -0.936 . . . . 1.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.88 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.469 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.72 -39.75 32.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.573 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 80' ' ' ASP . 18.5 tt0 -82.55 -24.51 33.98 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.313 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.75 -52.25 66.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 t -53.17 -32.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 t -85.83 -25.03 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.103 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.9 m-20 -77.84 -102.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.441 0.534 . . . . 1.0 112.441 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 82' ' ' ILE . 82.2 mtt-85 -101.55 -10.1 20.41 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.128 0.418 . . . . 1.0 112.128 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.7 tt 34.62 98.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.002 0.43 . . . . 1.0 111.493 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.61 69.34 0.39 Allowed Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -166.9 30.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 1.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.48 -68.96 0.74 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.787 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -47.68 -32.36 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.739 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.64 -10.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -132.0 94.12 3.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.3 tp -106.27 -23.35 12.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.511 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.7 p -70.68 39.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.764 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.12 167.6 0.06 OUTLIER Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 96' ' ' MET . 28.6 ptt-85 -86.12 -21.71 27.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.077 0.465 . . . . 1.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.86 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' GLY . 68.4 tttt -66.77 -32.66 74.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -41.48 -36.72 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.834 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.3 mpt? -73.53 -44.6 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -65.12 -37.3 93.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -50.12 -31.5 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.617 0.246 . . . . 1.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -51.1 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -58.89 -24.35 62.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.789 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.545 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 12.5 p -73.12 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.227 0.455 . . . . 1.0 112.227 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.545 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 6.3 tp -59.15 -44.14 92.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 1.0 111.09 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' VAL . 2.0 pp -77.01 -19.26 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.906 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 108' ' ' ALA . . . -57.4 -41.2 79.85 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.256 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.0 mt -62.12 -46.84 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.577 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.406 HD11 ' H ' ' A' ' 106' ' ' ILE . 5.2 mp -75.87 -30.03 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.85 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 109' ' ' VAL . 45.3 t -83.24 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.637 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' ALA . . . -27.69 -36.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.435 0.459 . . . . 1.0 112.005 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.617 ' CG2' ' H ' ' A' ' 110' ' ' ILE . 30.3 m -81.11 -66.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.795 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.617 ' H ' ' CG2' ' A' ' 109' ' ' VAL . 22.8 mt -51.35 -24.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 120.64 0.257 . . . . 1.0 110.321 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.8 m -59.54 -53.85 53.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -68.29 -23.71 64.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.059 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.66 -58.31 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.219 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 1.3 mp -67.18 -41.18 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.36 -36.06 68.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 9.3 tp -71.68 -40.16 69.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.97 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -53.22 -20.7 4.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.03 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 120' ' ' PHE . 3.2 m -62.22 -28.07 69.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.445 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.617 ' HD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.03 -0.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.68 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.617 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 76.8 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.539 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.47 ' N ' ' CD1' ' B' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.867 0.365 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.85 -20.82 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.24 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -107.01 42.9 1.22 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.361 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 168.97 -72.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.622 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.13 4.85 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.978 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.438 ' O ' ' OE2' ' B' ' 34' ' ' GLU . . . -38.95 -32.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 1.0 111.462 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' B' ' 31' ' ' PHE . 20.8 t80 -91.31 -46.16 8.2 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.42 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.033 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' B' ' 35' ' ' GLY . 55.4 tt0 -59.86 -58.99 6.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -41.29 -23.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -95.06 -48.06 2.51 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.39 -40.3 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.575 0.226 . . . . 1.0 111.136 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.17 -71.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 1.0 110.47 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 4.4 p -39.8 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.175 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.0 tp -87.41 -55.8 3.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tp -66.82 -34.83 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.255 -0.884 . . . . 1.0 110.647 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.45 -24.24 62.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.956 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 37.2 t -89.23 -37.62 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.683 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -55.48 -47.85 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.78 -47.16 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.466 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 49' ' ' ASP . . . -55.12 -36.51 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 48' ' ' LEU . 68.6 m -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.941 0.4 . . . . 1.0 110.007 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -40.65 -26.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 46' ' ' CYS . 12.2 mt -139.69 -67.85 0.43 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 45' ' ' ALA . 14.9 t0 64.67 87.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.013 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -153.35 14.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -49.89 153.01 1.41 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.25 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.24 -65.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.385 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.64 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 54.7 m -46.4 -45.79 18.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.85 -47.37 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -45.07 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -48.97 -50.7 34.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.936 0.398 . . . . 1.0 110.397 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.11 -51.42 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 63' ' ' MET . 15.0 mm -63.21 -56.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.8 t -48.88 -52.56 23.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.74 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -65.06 -62.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.007 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.29 -30.34 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.915 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' B' ' 59' ' ' ILE . 24.7 ttm -63.55 -34.34 77.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.37 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.06 -48.12 69.23 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.25 -33.88 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.322 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.49 ' O ' ' N ' ' B' ' 69' ' ' GLU . 26.7 mtt -61.74 -45.35 94.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.8 mm -45.13 -24.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.923 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 12.0 t -90.92 -31.68 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.711 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 66' ' ' MET . 27.6 mt-10 -93.4 -55.22 3.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.567 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 73' ' ' SER . 49.0 mt -65.88 -58.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.19 -35.61 49.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.683 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 2.1 t-20 -71.33 -13.74 61.97 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.368 0.604 . . . . 1.0 109.496 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 70' ' ' ILE . 3.5 t -90.76 -53.01 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.502 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.81 66.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.534 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.83 -39.64 32.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.766 -0.774 . . . . 1.0 109.553 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 80' ' ' ASP . 18.3 tt0 -82.53 -24.56 34.01 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.315 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.21 66.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.6 t -53.16 -32.23 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.681 -0.69 . . . . 1.0 109.299 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.87 -24.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.154 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 76' ' ' GLU . 64.3 m-20 -78.0 -101.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.41 0.522 . . . . 1.0 112.41 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 82' ' ' ILE . 82.4 mtt-85 -101.57 -10.09 20.4 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.5 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 121.102 0.477 . . . . 1.0 111.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.53 69.25 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -166.91 30.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 1.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -89.57 -68.93 0.75 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.414 ' C ' ' H ' ' B' ' 88' ' ' GLU . 18.3 p90 -47.61 -32.37 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.59 -10.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.734 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' B' ' 86' ' ' TYR . 49.8 tt0 -132.04 94.22 3.43 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.497 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.1 tp -106.05 -23.79 12.54 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -70.41 39.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.27 167.69 0.07 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' B' ' 96' ' ' MET . 28.6 ptt-85 -86.29 -21.7 27.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.036 0.446 . . . . 1.0 109.875 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.41 -50.9 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.629 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 97' ' ' GLY . 68.5 tttt -66.73 -32.68 74.14 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.861 -0.335 . . . . 1.0 110.686 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -41.38 -36.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.932 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.3 mpt? -73.57 -44.58 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.806 -0.442 . . . . 1.0 109.806 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' B' ' 94' ' ' LYS . . . -65.13 -37.4 94.07 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 59.7 m -50.04 -31.41 12.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.64 0.257 . . . . 1.0 111.59 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.87 -51.14 4.82 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -59.04 -24.14 62.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.817 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.544 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 12.4 p -73.29 -60.24 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.544 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 7.3 tp -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.995 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.9 pp -76.41 -19.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.0 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -57.31 -41.27 79.55 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.216 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.95 -47.12 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.582 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.425 HD11 ' H ' ' B' ' 106' ' ' ILE . 5.0 mp -75.64 -30.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.889 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 109' ' ' VAL . 44.9 t -83.18 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.649 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -27.75 -36.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.498 0.499 . . . . 1.0 111.973 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.618 ' CG2' ' H ' ' B' ' 110' ' ' ILE . 30.2 m -81.22 -66.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.618 ' H ' ' CG2' ' B' ' 109' ' ' VAL . 23.0 mt -51.38 -24.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 1.0 110.328 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.5 m -59.5 -54.02 51.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.786 0.327 . . . . 1.0 110.73 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -68.29 -23.73 64.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.044 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.61 -58.26 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.241 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.3 mp -67.28 -41.18 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.764 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.41 -35.99 68.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 119' ' ' HIS . 9.4 tp -71.76 -40.09 69.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.909 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -53.29 -20.59 4.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.073 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 120' ' ' PHE . 3.2 m -62.36 -28.01 69.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.443 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.621 ' HD1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.91 -0.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.771 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.621 ' N ' ' HD1' ' B' ' 119' ' ' HIS . 76.8 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.912 0.387 . . . . 1.0 110.579 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.02 -20.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.254 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -107.0 42.81 1.24 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 169.05 -72.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.596 0.56 . . . . 1.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.14 4.77 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.992 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.436 ' O ' ' OE2' ' C' ' 34' ' ' GLU . . . -38.84 -32.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 111.471 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' C' ' 31' ' ' PHE . 20.6 t80 -91.4 -46.06 8.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.929 0.395 . . . . 1.0 110.725 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.44 67.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.1 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' C' ' 35' ' ' GLY . 55.4 tt0 -59.9 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.835 -0.802 . . . . 1.0 108.835 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' C' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.407 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.96 -48.1 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 76.0 t -56.23 -40.41 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 122.795 -0.238 . . . . 1.0 111.155 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.19 -71.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 1.0 110.525 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.448 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 4.4 p -39.84 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.118 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.7 tp -87.23 -56.0 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.627 -0.879 . . . . 1.0 108.627 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.2 tp -66.94 -34.74 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.64 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -24.23 62.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.943 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 37.1 t -89.26 -37.75 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.36 -47.87 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.79 -47.14 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' C' ' 49' ' ' ASP . . . -55.14 -36.47 65.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.653 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' C' ' 48' ' ' LEU . 68.5 m -62.73 -45.94 90.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 1.0 109.989 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.72 -26.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' C' ' 46' ' ' CYS . 12.2 mt -139.64 -67.92 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' C' ' 45' ' ' ALA . 14.9 t0 64.86 87.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.931 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -153.22 14.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.491 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -49.75 152.93 1.35 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.31 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.14 -65.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.41 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.83 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.71 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 55.1 m -46.47 -45.72 18.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.452 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.84 -47.56 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.45 -45.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.04 -50.64 35.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.884 0.373 . . . . 1.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.25 -51.32 55.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' C' ' 63' ' ' MET . 15.0 mm -63.22 -56.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.216 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.86 -52.65 23.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -64.92 -62.84 1.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.29 -30.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.96 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.459 ' N ' ' O ' ' C' ' 59' ' ' ILE . 24.6 ttm -63.64 -34.24 77.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.34 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -48.18 69.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.031 0.444 . . . . 1.0 109.864 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.31 -33.88 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.378 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.494 ' O ' ' N ' ' C' ' 69' ' ' GLU . 26.9 mtt -61.61 -45.35 94.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.14 -24.55 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.393 -0.523 . . . . 1.0 109.95 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.94 -31.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 66' ' ' MET . 27.6 mt-10 -93.48 -55.32 3.33 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.5 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' C' ' 73' ' ' SER . 49.4 mt -65.79 -58.17 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.51 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.05 -35.73 48.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.733 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' C' ' 72' ' ' ASN . 2.1 t-20 -71.25 -13.83 62.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.316 0.579 . . . . 1.0 109.453 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.6 t -90.64 -53.19 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.472 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.93 66.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.71 -39.57 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' C' ' 80' ' ' ASP . 18.6 tt0 -82.65 -24.57 33.71 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.854 -0.338 . . . . 1.0 110.271 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.8 -52.16 66.61 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 t -53.2 -32.31 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.245 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.86 -24.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.551 -0.75 . . . . 1.0 111.118 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' C' ' 76' ' ' GLU . 64.1 m-20 -77.85 -101.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.437 0.532 . . . . 1.0 112.437 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' C' ' 82' ' ' ILE . 82.3 mtt-85 -101.57 -10.12 20.38 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 34.53 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.064 0.459 . . . . 1.0 111.553 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.56 69.27 0.39 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 m -166.87 30.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 1.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -89.45 -68.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.76 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' C' ' 88' ' ' GLU . 18.0 p90 -47.68 -32.41 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.706 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -56.55 -10.32 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' C' ' 86' ' ' TYR . 50.1 tt0 -132.0 94.2 3.44 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.522 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.1 tp -105.95 -23.86 12.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 21.4 p -70.49 39.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 56.01 167.57 0.06 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.686 -0.966 . . . . 1.0 110.686 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' C' ' 96' ' ' MET . 28.6 ptt-85 -86.09 -21.72 27.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.987 0.423 . . . . 1.0 109.929 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.82 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 97' ' ' GLY . 68.4 tttt -66.82 -32.62 74.02 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.725 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -41.41 -36.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.873 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.3 mpt? -73.61 -44.55 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' C' ' 94' ' ' LYS . . . -65.2 -37.31 93.89 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 59.3 m -50.1 -31.4 13.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 1.0 111.591 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.78 -51.2 4.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -58.89 -24.37 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.632 -0.713 . . . . 1.0 111.801 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.534 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 12.4 p -73.15 -60.14 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.534 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 7.3 tp -58.93 -44.46 91.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.0 111.06 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' C' ' 107' ' ' VAL . 2.0 pp -76.86 -19.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.918 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' C' ' 108' ' ' ALA . . . -57.25 -41.26 79.28 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 25.2 mt -62.15 -46.79 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.593 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.408 ' H ' HD12 ' C' ' 106' ' ' ILE . 5.1 mp -75.9 -30.11 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.774 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' C' ' 109' ' ' VAL . 44.9 t -83.18 -73.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.601 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' C' ' 104' ' ' ALA . . . -27.7 -36.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.477 0.486 . . . . 1.0 112.0 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.614 ' CG2' ' H ' ' C' ' 110' ' ' ILE . 30.1 m -81.19 -66.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . 0.614 ' H ' ' CG2' ' C' ' 109' ' ' VAL . 23.3 mt -51.26 -24.67 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.671 0.272 . . . . 1.0 110.406 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 8.6 m -59.57 -53.95 52.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.865 0.364 . . . . 1.0 110.766 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -68.21 -23.7 64.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.115 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.69 -58.3 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.184 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' C' ' 114' ' ' ILE . 1.3 mp -67.15 -41.32 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.767 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.37 -35.94 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' C' ' 119' ' ' HIS . 9.3 tp -71.72 -40.16 69.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.96 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -53.17 -20.67 4.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.081 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' SER . . . . . 0.455 ' C ' ' H ' ' C' ' 120' ' ' PHE . 3.3 m -62.38 -27.97 69.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.617 ' HD1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.04 -0.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.704 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.617 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 76.8 t80 -52.73 166.34 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.51 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.719 0 CA-C-O 117.906 -1.497 . . . . 1.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.631 ' HE1' ' NE2' ' A' ' 33' ' ' GLN . 8.1 t-105 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.936 0.398 . . . . 1.0 110.794 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 pt -92.36 -22.76 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.553 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.31 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.494 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.477 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -73.5 5.75 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.838 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.27 -36.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.165 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 32' ' ' ARG . 33.8 p90 -84.57 -49.19 8.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.539 . . . . 1.0 110.799 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.605 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 14.3 ttm180 -62.73 -23.29 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.943 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.631 ' NE2' ' HE1' ' A' ' 25' ' ' TRP . 52.9 tt0 -59.26 -61.28 2.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -26.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.276 -0.875 . . . . 1.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.44 -46.86 3.4 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.449 -0.66 . . . . 1.0 111.449 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.9 t -46.74 -33.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.464 -0.433 . . . . 1.0 110.155 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.61 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.479 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -35.58 -24.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.311 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' ALA . 8.8 tp -89.96 -49.72 6.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -61.31 -36.73 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.282 -0.872 . . . . 1.0 110.46 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.98 -26.06 62.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.61 -42.28 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.041 -0.264 . . . . 1.0 110.605 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -47.14 -46.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 1.0 110.223 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.98 -39.35 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.406 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -51.86 -51.44 56.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.2 t -56.08 -49.15 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.462 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' ALA . 2.6 pp -160.85 135.28 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 29.6 p-10 -110.64 71.62 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.4 130.32 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.497 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.08 113.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.01 171.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.168 0.508 . . . . 1.0 111.045 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' THR . 2.4 pp -44.61 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.003 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.69 0.07 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.739 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.449 HH21 ' CD1' ' B' ' 57' ' ' LEU . 50.6 ttp85 -79.89 -47.89 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.783 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.4 t -62.66 -32.4 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' CD1' HH21 ' C' ' 55' ' ' ARG . 8.7 tp -48.76 -49.8 36.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.93 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.9 mm? -48.97 -51.7 29.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.89 -26.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.057 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -76.16 -55.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 1.0 110.304 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 p -64.76 -58.39 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' CG ' ' A' ' 66' ' ' MET . 3.0 p -49.86 -36.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.711 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 63' ' ' MET . 14.2 tmm? -68.21 -40.67 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 1.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -53.44 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.687 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -34.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' VAL . 5.5 mmt -68.67 -26.95 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.796 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 tt -55.33 -36.08 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.739 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.29 -21.19 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.72 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' SER . 26.8 mm-40 -97.08 -79.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.899 -0.408 . . . . 1.0 109.899 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' SER . 2.2 mm -39.68 -60.31 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.34 -40.02 61.42 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.4 t-20 -75.56 -10.22 59.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.334 0.588 . . . . 1.0 109.677 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.0 m -91.11 -51.65 5.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.16 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.91 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.6 pt -48.79 -36.99 8.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 119.951 -0.7 . . . . 1.0 109.321 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.2 mt-10 -82.95 -25.3 32.48 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.108 -0.33 . . . . 1.0 110.108 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -54.87 42.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.768 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.04 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.091 0.472 . . . . 1.0 109.803 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.65 -31.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.281 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLU . 9.1 m-20 -83.44 -108.1 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.577 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.67 ' H ' ' NH2' ' C' ' 92' ' ' ARG . 39.0 ttm-85 -104.3 6.24 35.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.179 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.85 -112.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.83 -143.02 5.65 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.611 -0.996 . . . . 1.0 110.611 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.49 81.17 8.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 1.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.87 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.91 -31.78 25.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.43 -34.55 77.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.46 110.62 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.0 tp -173.79 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.8 m -72.53 34.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.67 169.58 0.05 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.673 ' NH2' ' H ' ' B' ' 81' ' ' ARG . 12.3 ttm180 -85.44 -25.21 27.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.957 0.408 . . . . 1.0 110.322 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.99 -51.05 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.39 73.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.788 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.441 ' CG ' ' HG ' ' B' ' 73' ' ' SER . 10.0 t70 -40.37 -40.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 1.0 110.985 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 41.0 mtt -74.61 -44.54 50.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.82 -35.88 92.44 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -52.79 -28.14 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.853 0.359 . . . . 1.0 110.809 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.15 -54.11 3.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.17 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLY . 3.6 t -66.28 -64.04 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.302 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.44 -47.4 66.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.185 0.517 . . . . 1.0 110.526 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 106' ' ' ILE . 17.8 mm -70.56 -21.21 22.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.692 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.57 -49.82 5.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.95 -38.77 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ILE . 24.4 mm -70.31 -31.1 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.507 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' VAL . 82.3 t -67.34 -77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.998 0.427 . . . . 1.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.37 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.703 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 107' ' ' VAL . 36.7 t -95.4 -83.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.639 0.257 . . . . 1.0 111.237 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.6 mm -45.58 -43.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.328 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.4 m -61.26 -47.35 86.42 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.419 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -66.87 -32.34 73.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.97 0.414 . . . . 1.0 110.073 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.84 -57.9 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -67.1 -40.8 86.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.54 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.77 -31.48 62.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 118' ' ' SER . 6.8 tp -71.54 -34.72 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.198 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.18 -20.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.084 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 116' ' ' LEU . 29.5 m -50.95 -22.81 2.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.501 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 6.1 p80 -62.74 -24.2 67.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.68 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.501 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 90.7 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.714 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.623 ' HE1' ' NE2' ' B' ' 33' ' ' GLN . 8.2 t-105 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.948 0.404 . . . . 1.0 110.773 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.32 -22.66 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -108.39 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 29' ' ' ALA . 3.7 tm-20 -179.12 -81.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.488 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' B' ' 28' ' ' GLU . . . -73.59 5.75 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.11 -36.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.175 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.607 ' CG ' ' N ' ' B' ' 32' ' ' ARG . 33.8 p90 -84.52 -49.08 8.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.288 0.566 . . . . 1.0 110.841 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.607 ' N ' ' CG ' ' B' ' 31' ' ' PHE . 14.3 ttm180 -62.77 -23.42 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.895 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.623 ' NE2' ' HE1' ' B' ' 25' ' ' TRP . 53.0 tt0 -59.16 -61.28 2.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.579 -0.897 . . . . 1.0 108.579 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -40.97 -26.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.309 -0.86 . . . . 1.0 110.604 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.42 -46.79 3.42 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.507 -0.637 . . . . 1.0 111.507 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -46.78 -33.99 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.207 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.6 -66.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.541 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -35.6 -24.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.305 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' ALA . 8.8 tp -89.9 -49.69 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.9 tp -61.38 -36.58 80.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.534 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.09 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.251 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.54 -42.3 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.683 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.02 -46.53 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 1.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 pt -75.03 -39.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.405 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -51.86 -51.39 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.17 -49.18 74.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.968 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -54.96 -32.41 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' B' ' 45' ' ' ALA . 2.5 pp -160.83 135.23 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' B' ' 49' ' ' ASP . 29.7 p-10 -110.6 71.58 0.75 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -158.28 130.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.39 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.05 113.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.354 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.51 171.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.147 0.499 . . . . 1.0 111.016 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.4 pp -44.62 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.029 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.422 ' C ' ' O ' ' B' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.76 0.07 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.379 0.425 . . . . 1.0 110.786 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.438 HH21 ' CD1' ' C' ' 57' ' ' LEU . 50.8 ttp85 -79.87 -47.89 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.748 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 53' ' ' ILE . 11.3 t -62.5 -32.41 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.449 ' CD1' HH21 ' A' ' 55' ' ' ARG . 8.8 tp -48.87 -49.7 38.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.893 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -49.03 -51.72 29.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 1.0 109.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.403 HD13 HG23 ' B' ' 59' ' ' ILE . 79.1 mt -68.02 -26.65 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.008 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 1.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -64.88 -58.37 6.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.083 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 66' ' ' MET . 3.0 p -49.91 -36.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.689 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' B' ' 63' ' ' MET . 14.2 tmm? -68.33 -40.73 81.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 1.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -53.48 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.49 -34.16 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' B' ' 62' ' ' VAL . 5.5 mmt -68.74 -26.85 65.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.735 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 tt -55.47 -36.03 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.635 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.34 -21.11 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.74 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' B' ' 73' ' ' SER . 26.6 mm-40 -97.09 -79.37 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 73' ' ' SER . 2.2 mm -39.73 -60.23 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.45 -39.9 61.61 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.322 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.5 t-20 -75.72 -10.13 59.18 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.29 0.567 . . . . 1.0 109.647 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.9 m -91.02 -51.71 5.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.629 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.2 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.887 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.5 pt -48.77 -36.98 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.347 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 80' ' ' ASP . 53.3 mt-10 -82.96 -25.21 32.52 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.152 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.4 -54.91 41.64 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.464 -0.495 . . . . 1.0 110.779 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.02 22.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.872 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.65 -31.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.34 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' B' ' 76' ' ' GLU . 9.2 m-20 -83.4 -108.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.619 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.673 ' H ' ' NH2' ' A' ' 92' ' ' ARG . 39.2 ttm-85 -104.36 6.28 35.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 13.0 mt 64.93 -112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.81 -142.96 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -85.5 81.21 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.286 . . . . 1.0 110.52 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.94 22.01 0.98 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.482 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.97 25.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.18 -34.62 77.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.944 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.43 110.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.8 tp -173.58 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.749 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -72.44 34.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.5 169.6 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' C' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.27 27.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.902 0.382 . . . . 1.0 110.312 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.1 69.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.74 -32.45 73.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.76 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.35 -40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 1.0 110.882 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 41.0 mtt -74.54 -44.56 50.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.361 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.82 -35.97 92.55 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 29.0 t -52.76 -28.13 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 1.0 110.791 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.13 -54.12 3.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.28 -21.35 59.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' B' ' 97' ' ' GLY . 3.6 t -66.22 -64.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.392 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.47 -47.27 66.6 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 1.0 110.582 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 106' ' ' ILE . 18.0 mm -70.64 -21.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.696 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.53 -49.8 5.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.835 -0.346 . . . . 1.0 110.831 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -64.0 -38.77 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' B' ' 103' ' ' ILE . 24.2 mm -70.2 -31.22 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.604 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' B' ' 109' ' ' VAL . 82.8 t -67.3 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-O 121.066 0.46 . . . . 1.0 110.621 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.41 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.776 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 107' ' ' VAL . 36.5 t -95.46 -83.22 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.252 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.52 -43.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.37 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.32 -47.34 86.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.8 -32.39 73.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 1.0 110.111 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.82 -57.9 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.4 HD13 HG23 ' B' ' 114' ' ' ILE . 0.2 OUTLIER -67.07 -40.71 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.591 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.82 -31.58 62.82 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' B' ' 118' ' ' SER . 6.7 tp -71.37 -34.84 70.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.204 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -46.24 -20.51 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.181 0.515 . . . . 1.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' SER . . . . . 0.431 ' N ' ' C ' ' B' ' 116' ' ' LEU . 28.7 m -50.94 -22.73 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.973 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 6.1 p80 -62.86 -24.19 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.606 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.487 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 90.7 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.65 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.624 ' HE1' ' NE2' ' C' ' 33' ' ' GLN . 8.2 t-105 . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.893 0.377 . . . . 1.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.35 -22.77 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.29 42.57 1.35 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' C' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.515 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' C' ' 28' ' ' GLU . . . -73.6 5.66 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.15 -36.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.389 -0.368 . . . . 1.0 111.232 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' C' ' 32' ' ' ARG . 34.0 p90 -84.61 -49.0 8.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.249 0.547 . . . . 1.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.608 ' N ' ' CG ' ' C' ' 31' ' ' PHE . 14.3 ttm180 -62.79 -23.47 67.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.89 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.624 ' NE2' ' HE1' ' C' ' 25' ' ' TRP . 53.0 tt0 -59.18 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -40.94 -26.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.41 -46.89 3.4 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.467 -0.653 . . . . 1.0 111.467 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.8 t -46.84 -33.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 122.427 -0.455 . . . . 1.0 110.147 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.75 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.497 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -35.57 -24.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.319 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' C' ' 37' ' ' ALA . 7.3 tp -90.01 -49.59 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.6 tp -61.14 -36.87 80.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.08 63.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.386 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.54 -42.31 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.658 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -47.04 -46.48 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.025 0.44 . . . . 1.0 110.237 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -75.05 -39.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.397 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -51.91 -51.37 57.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 45.7 t -56.17 -49.14 74.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.969 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.08 -32.34 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.467 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ALA . 2.6 pp -160.81 135.27 7.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' C' ' 49' ' ' ASP . 29.8 p-10 -110.63 71.44 0.75 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.581 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.24 130.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.09 112.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.393 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.88 171.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 1.0 111.074 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' C' ' 54' ' ' THR . 2.3 pp -44.62 -37.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 1.0 111.003 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' THR . . . . . 0.424 ' C ' ' O ' ' C' ' 53' ' ' ILE . 0.9 OUTLIER -34.23 -39.81 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.763 -179.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.449 HH21 ' CD1' ' A' ' 57' ' ' LEU . 50.7 ttp85 -79.74 -47.89 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.823 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 53' ' ' ILE . 11.6 t -62.61 -32.34 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . 0.438 ' CD1' HH21 ' B' ' 55' ' ' ARG . 8.7 tp -48.89 -49.77 38.21 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.976 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' C' ' 58' ' ' LEU . 3.9 mm? -48.82 -51.86 27.21 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.411 HG23 HD13 ' C' ' 59' ' ' ILE . 79.0 mt -67.88 -26.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -76.07 -55.23 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.956 0.408 . . . . 1.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' C' ' 62' ' ' VAL . 28.2 p -64.77 -58.42 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.446 ' H ' ' HG ' ' C' ' 61' ' ' SER . 3.0 p -49.91 -36.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.697 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' C' ' 63' ' ' MET . 14.2 tmm? -68.4 -40.67 81.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.0 110.73 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -53.46 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.36 -34.3 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.535 -0.466 . . . . 1.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' C' ' 62' ' ' VAL . 5.5 mmt -68.65 -26.97 65.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.758 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 tt -55.39 -36.0 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.769 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.31 -21.15 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.508 -0.477 . . . . 1.0 110.737 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' C' ' 73' ' ' SER . 26.7 mm-40 -97.11 -79.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' C' ' 73' ' ' SER . 2.2 mm -39.71 -60.3 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.32 -40.05 61.39 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 119.899 -0.72 . . . . 1.0 109.366 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.5 t-20 -75.64 -10.09 59.14 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.307 0.575 . . . . 1.0 109.679 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.9 m -91.07 -51.63 5.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.449 -0.796 . . . . 1.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.4 HD12 HG22 ' C' ' 75' ' ' ILE . 35.7 pt -48.85 -36.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 119.81 -0.756 . . . . 1.0 109.356 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 80' ' ' ASP . 53.1 mt-10 -82.97 -25.22 32.49 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.13 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.43 -54.84 42.46 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.829 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.35 -31.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.848 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.67 -31.06 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.302 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 76' ' ' GLU . 9.2 m-20 -83.43 -108.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.596 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.661 ' H ' ' NH2' ' B' ' 92' ' ' ARG . 39.1 ttm-85 -104.3 6.2 35.14 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.144 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' C' ' 77' ' ' ALA . 12.9 mt 64.86 -112.74 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.86 -142.98 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.46 81.08 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.33 . . . . 1.0 110.557 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.84 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.521 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.78 25.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.4 -34.53 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.33 110.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.493 ' C ' ' H ' ' C' ' 91' ' ' GLY . 6.9 tp -173.71 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.754 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 66.1 m -72.45 34.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.57 169.58 0.05 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.67 ' NH2' ' H ' ' A' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.24 27.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 1.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.06 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.643 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.41 73.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.39 -40.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 1.0 110.912 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 41.2 mtt -74.59 -44.51 50.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.367 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -64.83 -36.01 92.59 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -52.68 -28.17 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 1.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.22 -54.03 3.99 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.17 59.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' C' ' 97' ' ' GLY . 3.6 t -66.27 -64.03 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.361 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.4 -47.26 66.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.298 0.57 . . . . 1.0 110.666 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' C' ' 106' ' ' ILE . 17.9 mm -70.77 -21.11 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.58 -49.87 5.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.9 -38.79 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' C' ' 103' ' ' ILE . 24.4 mm -70.29 -31.17 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.541 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 109' ' ' VAL . 81.6 t -67.33 -77.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.978 0.418 . . . . 1.0 110.624 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.46 -26.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.773 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' C' ' 107' ' ' VAL . 36.7 t -95.41 -83.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.254 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.55 -43.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.333 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -61.32 -47.33 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.371 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.0 110.14 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -65.85 -57.99 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.921 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.437 HG23 HD12 ' C' ' 114' ' ' ILE . 0.2 OUTLIER -67.06 -40.81 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.7 -31.62 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' C' ' 118' ' ' SER . 6.8 tp -71.46 -34.82 70.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.14 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.16 -20.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 110.075 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' SER . . . . . 0.435 ' N ' ' C ' ' C' ' 116' ' ' LEU . 29.3 m -50.87 -22.88 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.953 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 6.0 p80 -62.74 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.654 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 90.8 t80 45.36 -93.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.722 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 117.991 -1.45 . . . . 1.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 1.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.38 -13.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.444 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -61.38 -62.04 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.632 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 30' ' ' ALA . 35.1 tt0 -124.97 -44.7 1.91 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -65.23 4.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.693 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -41.42 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.0 t80 -76.09 -48.99 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ALA . 88.2 mtm-85 -63.21 -33.5 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.72 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 36' ' ' VAL . 1.7 tp-100 -59.44 -63.96 1.12 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLN . 78.5 tt0 -35.8 -31.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.068 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -76.8 -43.36 18.27 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.507 -1.037 . . . . 1.0 110.507 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' GLN . 80.9 t -48.51 -45.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -12.95 60.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.003 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' GLY . 95.6 t -93.16 -31.66 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.682 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.01 -62.86 1.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.728 0.299 . . . . 1.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.06 -39.42 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.888 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.12 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.771 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.1 t -77.83 -39.57 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.741 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -47.28 -38.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 1.0 110.411 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -73.9 -43.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.68 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.443 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.37 -39.41 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.623 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -102.28 -168.24 1.51 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.376 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.14 -0.96 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -156.75 133.97 10.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.463 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.79 -178.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.327 0.584 . . . . 1.0 111.672 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 56' ' ' VAL . 2.2 pp -50.89 -38.7 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.93 . . . . 1.0 110.957 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ILE . 82.6 p -35.03 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.022 0.439 . . . . 1.0 110.633 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ILE . 45.7 ttp85 -80.55 -48.23 13.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.197 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' ILE . 4.0 t -66.14 -39.12 83.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.641 -0.709 . . . . 1.0 111.058 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tt -47.62 -46.05 28.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 mt -47.87 -45.81 30.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 mm -73.24 -26.47 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.201 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -69.77 -55.72 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.6 -60.43 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.197 0.523 . . . . 1.0 111.038 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.42 -33.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.05 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' A' ' 66' ' ' MET . 24.5 tpp -68.38 -47.06 68.39 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.398 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.19 -52.62 60.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.161 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 16.8 m -62.19 -33.18 57.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -62.57 -44.38 96.46 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.75 -46.98 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.0 t -83.88 -34.14 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 112.299 0.481 . . . . 1.0 112.299 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 mp0 -92.09 -79.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.411 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.142 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.75 -36.75 62.69 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 119.224 -0.99 . . . . 1.0 109.41 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 59.4 t-20 -79.44 -11.9 59.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.084 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 69' ' ' GLU . 1.5 m -90.54 -52.25 4.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.148 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.5 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 109.952 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.8 pt -51.49 -34.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.766 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ASP . 66.7 tt0 -86.76 -26.9 23.93 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.29 -51.48 69.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.13 -32.06 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 115.143 -0.935 . . . . 1.0 109.548 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.67 -24.53 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.115 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.8 t0 -82.53 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.661 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ILE . 13.5 ptm180 -106.0 -35.3 7.32 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.824 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.5 tt 36.05 98.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.164 0.506 . . . . 1.0 111.348 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -79.84 -33.32 33.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 83' ' ' GLY . 6.4 m 58.31 119.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 1.0 110.68 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -44.72 153.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.74 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.77 -27.92 28.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.62 -62.44 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.859 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.04 101.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.231 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' GLY . 6.7 tp -155.77 -21.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.76 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -64.91 59.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.555 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 60.72 164.7 0.21 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.55 -19.52 33.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.19 0.519 . . . . 1.0 109.825 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.31 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' GLY . 54.2 tttp -66.91 -35.22 79.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.228 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 30.7 m-20 -41.12 -35.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.979 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.85 -43.22 59.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.212 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -65.26 -37.01 93.49 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.16 -27.18 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 1.0 110.58 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.9 -53.63 3.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.75 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.671 -0.695 . . . . 1.0 111.539 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 13.7 p -74.07 -60.12 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.516 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 6.4 tp -56.21 -49.27 74.57 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.398 0.618 . . . . 1.0 110.914 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 pt -69.2 -18.79 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.309 -0.556 . . . . 1.0 110.442 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.0 -49.0 4.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.059 0.457 . . . . 1.0 110.284 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.407 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.3 tt -67.04 -43.33 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.357 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.25 -35.38 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.44 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 109' ' ' VAL . 66.1 t -79.32 -74.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.203 -0.199 . . . . 1.0 110.992 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -35.0 -29.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.958 0.409 . . . . 1.0 111.217 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 107' ' ' VAL . 87.7 t -87.38 -81.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.421 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.0 mm -45.85 -24.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.878 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 62.6 m -59.34 -50.94 72.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.933 0.397 . . . . 1.0 110.159 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.61 -24.34 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.504 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.56 -59.33 5.62 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.819 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.41 -40.4 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -39.31 73.19 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.77 -43.68 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.432 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.88 -32.32 44.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.127 0.489 . . . . 1.0 110.18 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 m -49.71 -33.8 17.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.73 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.485 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.81 0.338 . . . . 1.0 110.174 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.8 mt -72.26 -13.88 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.25 -62.06 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.663 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' B' ' 30' ' ' ALA . 35.2 tt0 -124.97 -44.63 1.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.987 0.422 . . . . 1.0 110.469 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -65.37 4.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -41.35 -23.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' B' ' 29' ' ' ALA . 23.0 t80 -76.02 -48.89 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.248 0.547 . . . . 1.0 109.734 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' B' ' 29' ' ' ALA . 88.3 mtm-85 -63.31 -33.54 75.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.6 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' B' ' 36' ' ' VAL . 1.7 tp-100 -59.46 -63.92 1.13 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.569 -0.9 . . . . 1.0 108.569 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -35.83 -31.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.128 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -76.95 -43.29 17.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.467 -1.053 . . . . 1.0 110.467 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.564 ' N ' ' O ' ' B' ' 33' ' ' GLN . 81.1 t -48.51 -45.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.57 -13.02 60.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.034 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 35' ' ' GLY . 96.1 t -93.15 -31.63 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.68 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.01 -62.85 1.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.73 0.3 . . . . 1.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.0 -39.5 41.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.869 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.21 74.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.743 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -77.7 -39.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.688 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -47.23 -38.17 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 1.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.95 -43.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.68 72.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.3 m -60.69 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -43.33 -39.31 3.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.73 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.26 -168.21 1.5 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.421 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.13 -1.02 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.416 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 p -158.49 140.29 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -156.86 133.89 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.445 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.77 -178.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.298 0.571 . . . . 1.0 111.715 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.2 pp -50.9 -38.68 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.996 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 53' ' ' ILE . 82.7 p -34.95 -33.24 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.059 0.457 . . . . 1.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 53' ' ' ILE . 45.7 ttp85 -80.58 -48.31 12.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.131 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 53' ' ' ILE . 4.0 t -66.06 -39.24 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.054 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tt -47.56 -46.12 27.67 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 mt -47.77 -45.86 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.518 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 mm -73.19 -26.49 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.251 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.8 -55.75 8.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -60.67 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.155 0.503 . . . . 1.0 110.972 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 m -50.46 -33.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.072 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' B' ' 66' ' ' MET . 24.7 tpp -68.24 -47.2 68.42 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.433 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -54.14 -52.49 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.196 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' B' ' 69' ' ' GLU . 16.6 m -62.37 -33.05 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' B' ' 63' ' ' MET . 0.0 OUTLIER -62.65 -44.38 96.41 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.708 -0.478 . . . . 1.0 109.708 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.3 mt -50.71 -47.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.862 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.72 -34.23 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' B' ' 69' ' ' GLU . 1.1 mp0 -92.06 -79.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.42 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.94 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.142 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.78 -36.66 62.65 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 119.18 -1.008 . . . . 1.0 109.408 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.423 ' O ' ' OD1' ' B' ' 72' ' ' ASN . 59.3 t-20 -79.42 -11.88 59.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.118 0.485 . . . . 1.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.56 -52.22 5.01 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.106 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.59 73.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.908 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 pt -51.41 -35.04 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.784 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 66.8 tt0 -86.73 -26.97 23.94 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.53 68.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.1 -32.1 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.526 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.7 -24.41 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.127 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.0 t0 -82.65 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.633 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 82' ' ' ILE . 13.5 ptm180 -105.99 -35.3 7.32 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.5 tt 36.01 98.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.276 0.56 . . . . 1.0 111.331 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -79.8 -33.26 34.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.609 -0.996 . . . . 1.0 110.609 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 83' ' ' GLY . 6.3 m 58.3 119.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.78 153.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.741 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -83.82 -27.86 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.755 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.68 -62.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.0 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' B' ' 91' ' ' GLY . 6.8 tp -155.83 -21.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.659 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 54.1 m -65.0 59.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.932 0.396 . . . . 1.0 111.543 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 60.72 164.69 0.21 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.52 -19.58 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.095 0.474 . . . . 1.0 109.773 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -50.29 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.558 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' B' ' 97' ' ' GLY . 54.1 tttp -66.8 -35.41 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 1.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 30.9 m-20 -41.04 -35.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.921 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.81 -43.22 59.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.238 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 94' ' ' LYS . . . -65.21 -37.04 93.57 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -51.22 -27.15 8.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 1.0 110.583 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.92 -53.55 3.64 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.81 47.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.446 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 13.6 p -74.03 -60.16 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.235 0.457 . . . . 1.0 112.235 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.518 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 7.3 tp -55.98 -49.44 73.57 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.36 0.6 . . . . 1.0 110.944 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 pt -69.21 -18.71 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.474 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.03 -48.97 4.71 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.094 0.473 . . . . 1.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 tt -67.06 -43.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.18 -35.43 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.412 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 109' ' ' VAL . 66.7 t -79.33 -73.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 121.19 -0.204 . . . . 1.0 111.016 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -35.01 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.949 0.404 . . . . 1.0 111.253 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 107' ' ' VAL . 87.1 t -87.41 -81.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.4 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.84 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.914 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 62.5 m -59.41 -50.82 72.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.914 0.388 . . . . 1.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.76 -24.17 55.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.55 -59.44 5.44 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.715 -0.394 . . . . 1.0 110.825 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.29 -40.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -39.36 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.69 -43.76 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.411 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -52.92 -32.24 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.987 0.423 . . . . 1.0 110.13 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 36.9 m -49.68 -33.88 16.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.223 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -46.68 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 73.2 t80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.414 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.738 0.304 . . . . 1.0 110.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 92.8 mt -72.4 -13.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.39 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.2 -62.05 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' C' ' 30' ' ' ALA . 35.1 tt0 -125.07 -44.62 1.9 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.394 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -65.35 4.26 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.587 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -41.38 -23.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' C' ' 29' ' ' ALA . 22.8 t80 -75.99 -48.99 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.204 0.526 . . . . 1.0 109.715 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 29' ' ' ALA . 88.1 mtm-85 -63.19 -33.59 75.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.628 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' C' ' 36' ' ' VAL . 1.7 tp-100 -59.42 -64.03 1.09 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -35.78 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.303 -0.862 . . . . 1.0 111.109 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -76.88 -43.31 18.0 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.501 -1.04 . . . . 1.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.56 ' N ' ' O ' ' C' ' 33' ' ' GLN . 81.7 t -48.48 -45.58 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.768 -0.456 . . . . 1.0 109.768 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.9 60.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.039 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' C' ' 35' ' ' GLY . 95.8 t -93.2 -31.61 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.05 -62.8 1.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.723 0.297 . . . . 1.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -49.88 -39.65 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.921 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.24 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -77.79 -39.69 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -47.22 -38.15 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 1.0 110.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.03 -43.26 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.545 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.664 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.69 -51.93 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.35 -39.27 3.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.684 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -102.38 -168.17 1.5 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.391 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.19 -0.97 2.67 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.404 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.25 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -156.8 133.88 10.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.385 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.76 -178.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.375 0.607 . . . . 1.0 111.671 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' C' ' 56' ' ' VAL . 2.2 pp -50.82 -38.82 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.951 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' C' ' 53' ' ' ILE . 82.8 p -34.96 -33.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.995 0.426 . . . . 1.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' C' ' 53' ' ' ILE . 45.5 ttp85 -80.51 -48.3 12.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.198 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' C' ' 53' ' ' ILE . 4.0 t -66.09 -39.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 1.0 111.092 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tt -47.55 -46.14 27.57 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 mt -47.79 -45.79 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.527 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 mm -73.3 -26.46 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.76 -55.78 8.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.64 -60.35 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.172 0.51 . . . . 1.0 111.038 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.48 -32.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.045 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.544 ' CE ' ' SD ' ' C' ' 66' ' ' MET . 24.3 tpp -68.43 -47.02 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.368 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -54.29 -52.49 61.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.159 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' C' ' 69' ' ' GLU . 16.8 m -62.28 -33.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.59 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.544 ' SD ' ' CE ' ' C' ' 63' ' ' MET . 0.0 OUTLIER -62.6 -44.4 96.39 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -50.74 -47.08 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.803 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.74 -34.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 N-CA-C 112.433 0.531 . . . . 1.0 112.433 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' C' ' 69' ' ' GLU . 1.2 mp0 -92.11 -79.42 0.38 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.42 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' C' ' 73' ' ' SER . 21.3 mm -41.65 -55.85 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.81 -36.73 62.8 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 119.199 -1.001 . . . . 1.0 109.378 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' C' ' 72' ' ' ASN . 59.2 t-20 -79.34 -11.92 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.151 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' C' ' 69' ' ' GLU . 1.5 m -90.58 -52.16 5.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.187 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.51 73.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.153 0.501 . . . . 1.0 109.941 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 pt -51.34 -35.11 15.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.778 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 66.7 tt0 -86.69 -26.96 24.02 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 120.619 0.247 . . . . 1.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.51 69.1 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.045 -0.724 . . . . 1.0 109.045 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -54.11 -32.07 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.521 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.67 -24.5 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 60.9 t0 -82.61 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.621 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 82' ' ' ILE . 13.5 ptm180 -106.01 -35.33 7.3 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.5 tt 36.06 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.218 0.532 . . . . 1.0 111.367 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -79.81 -33.23 34.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' C' ' 83' ' ' GLY . 6.3 m 58.36 119.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 1.0 110.712 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.72 153.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.726 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.73 -28.01 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.753 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.58 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.99 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' C' ' 91' ' ' GLY . 6.7 tp -155.78 -21.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.723 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -64.98 59.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 60.57 164.67 0.2 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.43 -19.64 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 1.0 109.789 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.64 -50.36 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.582 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' C' ' 97' ' ' GLY . 54.2 tttp -66.93 -35.28 79.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.196 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 30.8 m-20 -40.95 -35.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.961 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 29.3 mtm -73.81 -43.25 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.407 . . . . 1.0 110.159 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 94' ' ' LYS . . . -65.15 -37.02 93.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.3 -27.12 8.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.83 -53.65 3.62 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.78 47.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.685 . . . . 1.0 111.471 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 13.5 p -74.07 -60.24 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.138 0.422 . . . . 1.0 112.138 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.526 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 7.4 tp -55.99 -49.42 73.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.356 0.598 . . . . 1.0 110.911 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 pt -69.14 -18.79 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.478 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.99 -49.02 4.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.068 0.461 . . . . 1.0 110.313 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.3 tt -66.97 -43.32 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.422 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.31 -35.43 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 120.106 -0.637 . . . . 1.0 110.394 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 109' ' ' VAL . 65.9 t -79.29 -73.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.25 -0.18 . . . . 1.0 110.997 -179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -35.02 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.955 0.407 . . . . 1.0 111.235 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' C' ' 107' ' ' VAL . 88.4 t -87.34 -81.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.477 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 44.8 mm -45.83 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.944 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 61.9 m -59.31 -51.01 71.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.087 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.68 -24.24 55.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.503 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.51 -59.38 5.54 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.885 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.32 -40.52 86.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -39.28 73.13 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.8 -43.59 65.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.426 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -52.99 -32.35 45.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 1.0 110.064 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 34.4 m -49.71 -33.78 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.25 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -46.7 85.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.551 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -156.18 141.66 17.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.975 -1.458 . . . . 1.0 110.972 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.986 0.422 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.78 -12.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.373 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -62.25 -64.03 1.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.576 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 30' ' ' ALA . 40.9 tt0 -100.6 -52.62 3.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.012 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 1.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.113 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -35.39 -38.07 0.09 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.819 0.342 . . . . 1.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 53.2 p90 -91.02 -39.62 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.79 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.994 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 36' ' ' VAL . 44.6 tt0 -59.58 -61.0 2.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.922 -0.77 . . . . 1.0 108.922 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLN . 79.5 mt-10 -37.69 -33.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.675 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -78.35 -43.56 12.67 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.178 -1.169 . . . . 1.0 110.178 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' GLN . 68.7 t -48.36 -47.01 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.55 -11.75 54.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.841 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' GLY . 89.1 t -93.9 -32.83 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.315 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.45 -62.85 1.37 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.952 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.82 -37.84 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.281 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.96 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.239 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 71.6 t -87.19 -47.7 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.664 0.269 . . . . 1.0 111.417 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.66 -47.81 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.089 0.471 . . . . 1.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -61.08 -45.52 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.099 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -54.57 -29.12 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 42' ' ' VAL . 22.9 m -69.1 -42.24 76.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.002 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.52 -53.59 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.364 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' CD2' ' HE2' ' C' ' 119' ' ' HIS . 8.0 mp -87.1 174.6 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.289 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.56 -150.7 0.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -152.94 173.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.62 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 1.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.05 151.34 0.66 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 pt -135.96 27.03 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 p -60.72 -46.56 89.94 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.308 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.92 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.8 t -60.98 -29.16 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.619 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 tp -49.04 -39.37 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' O ' ' OG ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -59.69 -37.48 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' VAL . 96.6 mt -77.2 -57.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.799 . . . . 1.0 109.334 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -33.53 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 77.5 p -64.47 -62.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.5 . . . . 1.0 109.83 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' N ' ' OG ' ' A' ' 61' ' ' SER . 16.5 t -62.79 -27.29 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.818 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ttp -57.32 -38.39 73.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -53.95 -34.68 60.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -30.92 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.996 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' GLU . 45.8 mtt -56.08 -49.95 72.36 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.03 -24.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.618 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -27.52 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.13 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 66' ' ' MET . 54.7 mt-10 -97.91 -61.72 1.35 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.921 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' SER . 54.3 mt -55.1 -61.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.79 -36.48 37.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.106 -0.637 . . . . 1.0 109.401 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -75.83 -12.44 60.17 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -84.66 -51.63 6.69 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.42 77.05 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.656 -0.868 . . . . 1.0 108.656 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.4 -20.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.814 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ASP . 71.1 tt0 -96.48 -32.25 12.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.901 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -60.16 -52.47 65.2 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.047 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.1 p -56.02 -37.94 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.71 -25.68 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.461 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' GLU . 34.9 t0 -83.36 -109.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.528 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -104.84 -55.12 2.38 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 71.59 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 116.219 -0.446 . . . . 1.0 109.889 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.54 -108.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 1.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.588 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.68 -51.86 7.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.589 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' LEU . 95.0 m-70 -79.75 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.655 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' A' ' 95' ' ' ASP . 28.6 mm-40 -55.19 90.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.262 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' HIS . 0.8 OUTLIER -142.69 -21.12 0.66 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.071 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -67.73 55.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.83 160.76 1.05 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.9 -23.68 41.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.168 0.508 . . . . 1.0 109.651 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.3 66.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.47 -34.93 74.74 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.937 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.416 ' OD2' ' OE1' ' A' ' 88' ' ' GLU . 13.5 t0 -44.74 -40.06 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.35 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.86 -44.74 61.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.202 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.67 -35.21 91.65 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.479 -1.049 . . . . 1.0 110.479 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -48.72 -30.49 5.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.695 0.283 . . . . 1.0 111.191 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -49.76 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -57.18 -25.6 59.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.608 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG2' ' H ' ' A' ' 102' ' ' LEU . 19.2 m -70.25 -55.74 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.119 -0.633 . . . . 1.0 110.05 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.414 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 4.1 mp -57.78 -49.78 75.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.963 -0.695 . . . . 1.0 109.615 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.89 -25.88 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.702 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . -47.42 -43.34 23.7 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.263 -0.575 . . . . 1.0 109.723 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.16 -38.79 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 76.1 mt -72.82 -64.88 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.46 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.599 ' CG2' ' H ' ' A' ' 108' ' ' ALA . 16.6 m -47.87 -67.15 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.506 -0.478 . . . . 1.0 110.737 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.599 ' H ' ' CG2' ' A' ' 107' ' ' VAL . . . -34.45 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.004 0.431 . . . . 1.0 111.173 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 107' ' ' VAL . 95.7 t -93.23 -80.13 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.585 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.5 mt -46.26 -35.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 22.0 m -58.38 -52.69 64.56 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.611 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -67.51 -29.56 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.184 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.49 -59.1 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.324 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.28 -39.28 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.812 0.339 . . . . 1.0 110.233 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.49 -42.22 77.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.028 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.96 -45.3 78.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -56.42 -21.08 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.961 0.41 . . . . 1.0 110.119 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.65 -27.07 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.278 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.54 ' HE2' ' CD2' ' B' ' 48' ' ' LEU . 33.0 m170 -62.44 -47.02 85.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.853 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.913 0.387 . . . . 1.0 110.57 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.82 -12.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.34 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.27 -64.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.596 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' B' ' 30' ' ' ALA . 41.0 tt0 -100.5 -52.7 3.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -60.28 1.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.112 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -35.34 -38.14 0.09 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.892 0.377 . . . . 1.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 53.2 p90 -91.05 -39.63 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.811 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.77 78.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.028 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' B' ' 36' ' ' VAL . 44.5 tt0 -59.46 -61.11 2.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 33' ' ' GLN . 79.7 mt-10 -37.7 -33.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.693 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -78.41 -43.57 12.47 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' B' ' 33' ' ' GLN . 68.7 t -48.26 -47.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.8 54.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.821 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 35' ' ' GLY . 88.1 t -93.84 -32.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.38 -63.01 1.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.56 -38.06 42.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.289 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.246 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.481 ' O ' ' SG ' ' B' ' 46' ' ' CYS . 70.2 t -87.28 -47.74 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.621 -0.263 . . . . 1.0 111.308 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.59 -47.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 1.0 110.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -60.98 -45.63 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.155 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -54.39 -29.24 48.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.516 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' B' ' 42' ' ' VAL . 23.0 m -69.08 -42.24 76.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 109.991 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.51 -53.57 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.54 ' CD2' ' HE2' ' A' ' 119' ' ' HIS . 8.0 mp -87.1 174.67 8.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.331 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -90.61 -150.78 0.23 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 20.1 m -152.84 173.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.28 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -170.57 -157.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.377 . . . . 1.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.37 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.97 26.93 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.075 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.403 ' O ' ' N ' ' B' ' 57' ' ' LEU . 33.5 p -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.277 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.87 14.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.557 -0.535 . . . . 1.0 109.557 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 59' ' ' ILE . 3.8 t -61.05 -29.08 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.657 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 54' ' ' THR . 46.3 tp -49.02 -39.43 27.01 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' B' ' 61' ' ' SER . 0.9 OUTLIER -59.69 -37.46 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.001 -0.741 . . . . 1.0 109.001 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 59' ' ' ILE . 96.6 mt -77.16 -57.56 5.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.337 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -46.03 -33.53 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.35 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 58' ' ' LEU . 77.3 p -64.41 -62.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 1.0 109.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 61' ' ' SER . 16.2 t -62.75 -27.36 42.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.752 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.1 ttp -57.37 -38.4 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.81 -34.78 60.22 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.053 -0.721 . . . . 1.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.7 -30.87 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.048 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.527 ' O ' ' N ' ' B' ' 69' ' ' GLU . 45.7 mtt -56.01 -50.02 72.04 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.228 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -24.3 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 119.869 -0.732 . . . . 1.0 109.578 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 4.1 t -88.93 -27.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.1 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' MET . 54.7 mt-10 -97.85 -61.93 1.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.856 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 73' ' ' SER . 53.5 mt -54.74 -61.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -36.42 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.165 -0.614 . . . . 1.0 109.462 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.89 -12.42 60.15 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.2 m -84.81 -51.51 6.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.53 76.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mm -57.32 -20.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.699 -1.137 . . . . 1.0 109.852 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 80' ' ' ASP . 71.3 tt0 -96.58 -32.2 12.37 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.81 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -60.15 -52.48 65.14 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.048 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.1 p -56.07 -37.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.909 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.83 -25.62 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.48 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' B' ' 76' ' ' GLU . 35.0 t0 -83.33 -109.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.528 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.83 -55.18 2.37 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.847 0.314 . . . . 1.0 111.847 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 71.51 139.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.927 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.48 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 1.0 110.633 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -81.69 -51.81 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 95.0 m-70 -79.81 -62.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.652 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.417 ' OE1' ' OD2' ' B' ' 95' ' ' ASP . 28.7 mm-40 -55.22 90.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 87' ' ' HIS . 0.8 OUTLIER -142.66 -21.2 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.095 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 78.9 p -67.69 55.36 0.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 1.0 111.265 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.74 160.78 1.03 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.85 -23.77 41.75 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.35 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.608 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.46 -34.96 74.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.848 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD2' ' OE1' ' B' ' 88' ' ' GLU . 13.5 t0 -44.61 -40.19 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.395 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.81 -44.74 61.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.573 -0.451 . . . . 1.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.68 -35.17 91.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.529 -1.028 . . . . 1.0 110.529 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 53.3 p -48.76 -30.5 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 1.0 111.204 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 -49.68 5.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -57.17 -25.7 59.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.579 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.421 ' CG2' ' H ' ' B' ' 102' ' ' LEU . 19.2 m -70.16 -55.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.421 ' H ' ' CG2' ' B' ' 101' ' ' VAL . 4.1 mp -57.73 -49.81 75.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.995 -0.682 . . . . 1.0 109.664 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.92 -25.75 20.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.787 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -47.45 -43.36 23.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.273 -0.571 . . . . 1.0 109.664 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.16 -38.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.68 -65.0 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.531 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.598 ' CG2' ' H ' ' B' ' 108' ' ' ALA . 16.6 m -47.87 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.75 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.598 ' H ' ' CG2' ' B' ' 107' ' ' VAL . . . -34.5 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.039 0.447 . . . . 1.0 111.234 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 107' ' ' VAL . 97.4 t -93.14 -80.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.669 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 72.4 mt -46.23 -35.82 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.039 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 22.1 m -58.38 -52.65 64.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.629 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.53 -29.66 69.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.149 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.43 -58.99 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.356 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.34 -39.22 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.828 0.347 . . . . 1.0 110.28 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.54 -42.23 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 1.0 109.985 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.9 -45.31 78.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -56.46 -21.1 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 1.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.68 -26.97 68.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.327 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.558 ' HE2' ' CD2' ' C' ' 48' ' ' LEU . 32.7 m170 -62.51 -47.01 85.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.855 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 120.871 0.367 . . . . 1.0 110.562 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.927 0.394 . . . . 1.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.88 -12.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.382 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.18 -64.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' C' ' 30' ' ' ALA . 40.9 tt0 -100.44 -52.73 3.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.081 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 1.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.143 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -35.36 -38.22 0.1 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.93 0.395 . . . . 1.0 111.451 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 53.3 p90 -90.98 -39.65 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 15.7 tpt180 -61.11 -36.2 79.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.983 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' C' ' 36' ' ' VAL . 44.4 tt0 -59.17 -61.0 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -37.75 -33.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.692 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -78.44 -43.62 12.31 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.176 -1.17 . . . . 1.0 110.176 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' C' ' 33' ' ' GLN . 58.9 t -48.24 -47.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.416 -0.514 . . . . 1.0 109.665 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -11.78 54.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' C' ' 35' ' ' GLY . 85.9 t -93.76 -33.0 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.37 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.38 -62.86 1.37 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.66 -37.99 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.784 0.326 . . . . 1.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.95 67.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . 0.492 ' O ' ' SG ' ' C' ' 46' ' ' CYS . 71.9 t -87.17 -47.71 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.591 0.234 . . . . 1.0 111.412 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.72 -47.75 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 1.0 110.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -61.02 -45.6 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -54.54 -29.06 49.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.567 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' C' ' 42' ' ' VAL . 22.7 m -69.1 -42.33 76.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.011 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.44 -53.48 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.483 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.558 ' CD2' ' HE2' ' B' ' 119' ' ' HIS . 8.0 mp -87.19 174.6 8.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.328 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -90.56 -150.75 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -152.91 173.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.48 -157.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.08 151.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.88 27.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 33.8 p -60.78 -46.65 89.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -48.2 -36.89 14.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' C' ' 59' ' ' ILE . 3.8 t -60.99 -29.15 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.617 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 tp -49.02 -39.31 26.51 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' C' ' 61' ' ' SER . 0.9 OUTLIER -59.83 -37.38 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.974 -0.75 . . . . 1.0 108.974 179.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' C' ' 56' ' ' VAL . 96.5 mt -77.14 -57.61 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.386 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 13.9 t -46.12 -33.42 3.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.306 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' SER . . . . . 0.555 ' HG ' ' N ' ' C' ' 62' ' ' VAL . 77.8 p -64.49 -62.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.522 . . . . 1.0 109.775 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.555 ' N ' ' HG ' ' C' ' 61' ' ' SER . 16.3 t -62.69 -27.4 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.779 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 25.8 ttp -57.28 -38.49 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.77 -34.8 60.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.092 -0.707 . . . . 1.0 109.092 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -30.93 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.987 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.519 ' O ' ' N ' ' C' ' 69' ' ' GLU . 45.5 mtt -56.09 -50.01 72.22 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.217 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -24.22 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.617 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' C' ' 66' ' ' MET . 4.1 t -89.02 -27.37 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.116 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' C' ' 66' ' ' MET . 54.7 mt-10 -97.95 -61.69 1.35 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.89 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 73' ' ' SER . 54.8 mt -55.14 -61.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -36.5 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.084 -0.646 . . . . 1.0 109.432 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.78 -12.48 60.19 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.534 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.2 m -84.69 -51.65 6.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.793 -0.817 . . . . 1.0 108.793 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.4 77.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.45 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.622 -1.172 . . . . 1.0 109.777 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 80' ' ' ASP . 71.3 tt0 -96.6 -32.29 12.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.83 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -60.04 -52.53 64.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.073 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -56.02 -37.93 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.77 -25.59 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.488 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' C' ' 76' ' ' GLU . 35.1 t0 -83.37 -109.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.494 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.79 -55.11 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 71.54 139.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.845 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.52 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.38 105.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 1.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.2 90.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.81 -51.71 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' C' ' 89' ' ' LEU . 94.9 m-70 -79.88 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' OD2' ' C' ' 95' ' ' ASP . 28.5 mm-40 -55.24 90.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.3 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' C' ' 87' ' ' HIS . 0.8 OUTLIER -142.61 -21.26 0.67 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.04 -179.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -67.69 55.4 0.06 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.75 160.78 1.04 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.87 -23.68 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 1.0 109.711 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.42 -34.98 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . 0.41 ' OD2' ' OE1' ' C' ' 88' ' ' GLU . 13.6 t0 -44.63 -40.13 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.407 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 44.4 mtt -72.77 -44.79 61.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.225 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.7 -35.19 91.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.69 -30.5 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.279 . . . . 1.0 111.214 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.75 -49.74 5.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -57.13 -25.63 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.554 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.422 ' CG2' ' H ' ' C' ' 102' ' ' LEU . 19.2 m -70.25 -55.78 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.061 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.422 ' H ' ' CG2' ' C' ' 101' ' ' VAL . 4.1 mp -57.64 -49.85 75.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.636 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.82 -26.03 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.722 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' C' ' 100' ' ' ALA . . . -47.38 -43.31 23.24 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.2 -0.6 . . . . 1.0 109.755 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.15 -38.82 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.88 -64.86 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.342 -0.543 . . . . 1.0 111.456 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.614 ' CG2' ' H ' ' C' ' 108' ' ' ALA . 16.7 m -47.84 -67.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.786 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.614 ' H ' ' CG2' ' C' ' 107' ' ' VAL . . . -34.52 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.947 0.403 . . . . 1.0 111.184 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' C' ' 107' ' ' VAL . 96.9 t -93.17 -80.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.649 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 72.5 mt -46.34 -35.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 21.8 m -58.37 -52.71 64.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.625 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.49 -29.6 69.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.51 -59.04 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.359 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 13.2 pt -60.26 -39.26 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.836 0.35 . . . . 1.0 110.318 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.47 -42.31 78.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 1.0 109.984 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.87 -45.33 78.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.539 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -56.35 -21.11 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 1.0 110.157 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.75 -26.98 67.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.551 ' HE2' ' CD2' ' A' ' 48' ' ' LEU . 32.9 m170 -62.49 -47.05 85.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.839 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.33 114.1 26.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.935 0.398 . . . . 1.0 110.537 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 118.014 -1.437 . . . . 1.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.511 ' N ' ' CD1' ' A' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 1.0 110.738 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.34 -13.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.98 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.613 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.28 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.629 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -78.91 2.92 18.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.478 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.91 -21.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.593 . . . . 1.0 111.598 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' ALA . 38.8 p90 -91.28 -41.69 10.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.214 0.531 . . . . 1.0 110.213 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 18.5 ttt85 -75.99 -22.28 56.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.401 -0.818 . . . . 1.0 109.498 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.2 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.47 -0.937 . . . . 1.0 108.47 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.09 -18.94 0.95 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.34 -0.846 . . . . 1.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.6 -58.79 1.79 Allowed Glycine 0 CA--C 1.531 1.086 0 C-N-CA 121.238 -0.506 . . . . 1.0 112.681 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.1 -33.38 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 117.172 0.486 . . . . 1.0 111.082 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -55.7 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 2.0 t -37.15 -19.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 37' ' ' ALA . 10.6 mt -89.49 -48.94 6.98 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 37' ' ' ALA . 39.0 mt -70.49 -40.37 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.47 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.432 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 4.7 p -96.87 -38.5 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 120.946 -0.302 . . . . 1.0 111.591 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 44' ' ' ILE . 9.3 p -60.72 -45.14 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.211 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 17.1 tt -65.36 -47.03 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.188 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.15 -46.6 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.667 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.43 -172.12 2.83 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.356 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.18 0.43 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.3 m -151.58 167.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.331 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 31.2 t0 -164.29 -137.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -52.3 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.564 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -154.51 20.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.799 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.92 -33.84 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.792 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -57.08 -40.72 77.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ILE . 67.0 t -47.69 -40.56 7.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.647 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 tp -49.24 -51.39 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.077 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.19 -43.25 70.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.254 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 63' ' ' MET . 12.9 mm -73.0 -55.31 13.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.208 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.9 m -49.36 -46.27 46.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.298 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -64.41 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.974 0.416 . . . . 1.0 110.467 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.5 -27.78 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.698 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' ILE . 31.5 ttm -60.37 -31.63 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.048 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -43.27 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.742 -0.836 . . . . 1.0 108.742 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.83 -31.44 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.196 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ILE . 32.8 mtt -61.19 -34.85 75.74 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.688 -0.405 . . . . 1.0 109.978 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 HG23 HD12 ' A' ' 67' ' ' ILE . 17.6 mm -53.13 -49.02 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 m -81.8 -21.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.381 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -92.56 -69.96 0.72 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 73' ' ' SER . 18.8 mt -57.1 -65.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.628 -0.429 . . . . 1.0 110.183 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.32 -40.57 11.98 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.679 -178.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 2.4 t30 -58.35 -4.8 0.42 Allowed 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 m -90.14 -46.27 8.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.38 68.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.382 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 pt -66.78 -16.61 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.271 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 51.0 mm-40 -93.68 -28.66 15.84 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.582 -0.896 . . . . 1.0 108.582 177.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -64.15 -46.26 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.387 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.94 -45.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.83 -26.11 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.691 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' GLU . 28.9 t70 -80.24 -98.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.519 0.563 . . . . 1.0 112.519 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 15.4 mmm180 -96.69 -16.25 21.02 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.058 0.392 . . . . 1.0 112.058 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt 34.95 96.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.009 0.433 . . . . 1.0 111.577 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -84.83 -39.04 8.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' GLY . 11.6 t 47.54 98.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 1.0 110.621 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.84 169.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.28 -15.05 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.46 -25.23 35.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.066 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.82 106.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.138 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.3 tp -174.43 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.5 p -70.75 32.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.284 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.9 170.57 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.7 -21.41 25.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.085 0.469 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.62 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.61 -30.77 70.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.599 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.32 4.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.722 0.296 . . . . 1.0 111.084 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 mtt -71.93 -45.95 59.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.001 0.429 . . . . 1.0 109.976 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.52 -37.02 94.13 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.0 m -48.28 -30.94 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 1.0 110.654 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.26 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.493 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.555 ' CG2' ' H ' ' A' ' 102' ' ' LEU . 20.9 m -67.05 -60.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.246 -0.582 . . . . 1.0 109.49 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.555 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 14.1 mt -53.57 -49.97 66.57 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.165 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 106' ' ' ILE . 16.9 mt -64.84 -24.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.278 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.27 -48.18 3.53 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.057 0.455 . . . . 1.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.44 -38.9 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 103' ' ' ILE . 15.1 mt -74.05 -62.49 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.593 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -48.47 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.903 -178.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -32.2 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.864 0.364 . . . . 1.0 111.867 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.1 t -89.76 -77.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.084 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.73 -27.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 1.0 110.906 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 97.0 m -59.57 -47.71 84.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.19 58.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.67 -58.01 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.932 -0.307 . . . . 1.0 111.161 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 115' ' ' LEU . 3.3 tp -60.05 -43.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.701 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' A' ' 114' ' ' ILE . 76.8 mt -60.81 -41.39 95.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.308 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 11.1 tp -62.44 -46.6 87.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.96 -28.0 67.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.679 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.5 m -65.16 -38.24 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.089 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 120' ' ' PHE . 1.8 p-80 -76.51 -43.81 37.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.471 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 36.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.643 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.494 ' N ' ' CD1' ' B' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 1.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -57.24 -13.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.531 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.97 -61.74 2.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.574 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.25 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -78.9 2.91 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.8 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.516 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' ALA . 38.9 p90 -91.31 -41.74 10.76 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.15 0.5 . . . . 1.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' ALA . 18.4 ttt85 -75.98 -22.21 56.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.494 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.25 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.523 -0.917 . . . . 1.0 108.523 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.06 -18.91 0.91 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.31 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.66 -58.78 1.78 Allowed Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.241 -0.504 . . . . 1.0 112.698 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -50.05 -33.46 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 117.172 0.486 . . . . 1.0 111.042 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -55.58 -62.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.979 -0.749 . . . . 1.0 108.979 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' B' ' 42' ' ' VAL . 2.0 t -37.12 -19.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.382 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' B' ' 37' ' ' ALA . 10.6 mt -89.47 -49.0 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.811 -0.811 . . . . 1.0 108.811 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 37' ' ' ALA . 38.2 mt -70.42 -40.33 73.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.82 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.65 62.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.402 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' B' ' 38' ' ' VAL . 4.7 p -96.79 -38.56 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.949 -0.3 . . . . 1.0 111.619 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' B' ' 44' ' ' ILE . 9.3 p -60.73 -45.1 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.158 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.465 ' N ' ' CG1' ' B' ' 43' ' ' VAL . 17.2 tt -65.52 -46.89 88.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.918 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -59.76 -28.96 67.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.208 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.29 -46.52 73.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.661 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -63.67 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.132 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -93.34 -172.14 2.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.433 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -155.16 0.43 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.66 167.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 31.4 t0 -164.29 -137.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.521 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -52.39 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -154.46 21.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.841 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -40.06 -33.76 0.24 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.934 0.397 . . . . 1.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -57.05 -40.8 77.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.796 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 53' ' ' ILE . 67.3 t -47.65 -40.53 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.66 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.21 -51.42 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.18 -43.22 70.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.271 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 63' ' ' MET . 12.9 mm -72.99 -55.35 13.09 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.176 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -49.38 -46.31 47.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.248 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -64.28 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 1.0 110.539 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.53 -27.76 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' B' ' 59' ' ' ILE . 31.5 ttm -60.4 -31.56 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.992 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.82 -43.28 80.86 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.75 -31.55 52.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.198 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.0 mtt -61.04 -35.04 75.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.627 -0.429 . . . . 1.0 109.969 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.95 -49.04 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 m -81.78 -21.54 10.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.359 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.43 -70.14 0.71 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.982 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' B' ' 73' ' ' SER . 18.6 mt -57.02 -65.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.211 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 73' ' ' SER . 0.1 OUTLIER -46.43 -40.5 12.33 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.71 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' B' ' 76' ' ' GLU . 2.3 t30 -58.41 -4.74 0.42 Allowed 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.532 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.5 m -90.23 -46.25 8.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.546 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.31 68.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 pt -66.91 -16.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.224 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' B' ' 72' ' ' ASN . 51.3 mm-40 -93.64 -28.68 15.85 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 82' ' ' ILE . . . -64.21 -46.21 84.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.354 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.99 -45.1 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.636 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.87 -26.03 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.705 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 76' ' ' GLU . 29.0 t70 -80.35 -98.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.526 0.565 . . . . 1.0 112.526 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 82' ' ' ILE . 15.4 mmm180 -96.65 -16.17 21.11 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.098 0.407 . . . . 1.0 112.098 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' B' ' 77' ' ' ALA . 3.8 tt 34.83 96.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.085 0.469 . . . . 1.0 111.488 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -84.91 -38.94 8.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 83' ' ' GLY . 11.7 t 47.57 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 1.0 110.655 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.95 169.3 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 1.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.34 -15.04 47.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.658 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.43 -25.24 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.061 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.87 106.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.081 -0.34 . . . . 1.0 110.081 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.3 tp -174.61 -51.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 91' ' ' GLY . 20.6 p -70.94 32.2 0.04 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.219 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.84 170.51 0.04 OUTLIER Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.62 -21.38 25.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.144 0.497 . . . . 1.0 110.159 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -51.74 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.709 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.57 -30.8 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.566 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.34 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.741 0.305 . . . . 1.0 111.187 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.8 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 1.0 110.019 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.98 94.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -48.18 -30.94 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 1.0 110.687 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.29 -50.78 5.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.784 -0.451 . . . . 1.0 109.784 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.27 -25.45 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.47 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.545 ' CG2' ' H ' ' B' ' 102' ' ' LEU . 21.5 m -66.87 -60.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.549 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.545 ' H ' ' CG2' ' B' ' 101' ' ' VAL . 13.8 mt -53.71 -49.94 66.99 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.188 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 106' ' ' ILE . 16.6 mt -64.82 -24.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.324 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.32 -48.3 3.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.113 0.482 . . . . 1.0 110.554 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.29 -38.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.091 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' B' ' 103' ' ' ILE . 14.8 mt -74.04 -62.54 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.576 -0.45 . . . . 1.0 111.569 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 0.4 OUTLIER -48.41 -75.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 120.706 -0.397 . . . . 1.0 110.857 -178.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -32.23 -33.05 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.845 0.355 . . . . 1.0 111.759 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.1 t -89.78 -77.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.019 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.63 -27.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.325 . . . . 1.0 110.928 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 96.8 m -59.62 -47.7 84.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.18 58.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.71 -58.03 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' B' ' 115' ' ' LEU . 3.3 tp -59.95 -43.33 92.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.685 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' B' ' 114' ' ' ILE . 75.8 mt -60.84 -41.38 95.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 1.0 110.315 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 11.0 tp -62.38 -46.56 88.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.233 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.0 -27.95 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 69.1 m -65.23 -38.25 89.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.075 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' B' ' 120' ' ' PHE . 1.8 p-80 -76.37 -43.95 38.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 1.0 110.523 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' B' ' 119' ' ' HIS . 36.3 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.695 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.829 0.347 . . . . 1.0 110.765 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.26 -13.83 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.59 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.99 -61.7 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.623 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.83 -27.26 2.11 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -79.0 2.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.437 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.9 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.516 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' C' ' 29' ' ' ALA . 38.7 p90 -91.19 -41.72 10.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.245 0.545 . . . . 1.0 110.238 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 29' ' ' ALA . 18.5 ttt85 -76.02 -22.16 56.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.507 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.23 -64.85 0.77 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.516 -0.92 . . . . 1.0 108.516 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.14 -18.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.32 -0.854 . . . . 1.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.71 -58.76 1.78 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 121.249 -0.5 . . . . 1.0 112.697 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.09 -33.41 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 117.142 0.471 . . . . 1.0 111.06 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -55.67 -62.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.981 -0.748 . . . . 1.0 108.981 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' C' ' 42' ' ' VAL . 2.0 t -37.2 -19.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.745 -0.661 . . . . 1.0 111.328 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' C' ' 37' ' ' ALA . 10.7 mt -89.53 -48.87 7.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' C' ' 37' ' ' ALA . 38.6 mt -70.52 -40.31 73.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.727 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.54 62.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.486 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' C' ' 38' ' ' VAL . 4.7 p -96.74 -38.6 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.643 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' C' ' 44' ' ' ILE . 9.5 p -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.182 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' C' ' 43' ' ' VAL . 17.1 tt -65.38 -47.07 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.919 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -59.66 -29.06 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 24.2 t -67.16 -46.66 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.713 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -63.67 -38.4 90.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.104 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.42 -172.15 2.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.372 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.22 0.43 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.704 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 32.4 m -151.61 167.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 31.2 t0 -164.28 -137.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.654 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.512 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -52.26 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.1 OUTLIER -154.52 21.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.795 -179.828 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.94 -33.81 0.24 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.891 0.376 . . . . 1.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -57.12 -40.72 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.846 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' C' ' 53' ' ' ILE . 67.9 t -47.63 -40.61 7.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.683 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.19 -51.4 32.98 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.15 -43.28 70.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.21 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' C' ' 63' ' ' MET . 12.9 mm -72.96 -55.33 13.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.218 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 73.7 m -49.43 -46.31 47.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -64.31 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.439 . . . . 1.0 110.512 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -58.55 -27.7 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.672 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.502 ' N ' ' O ' ' C' ' 59' ' ' ILE . 31.5 ttm -60.52 -31.52 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.967 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.82 -43.21 80.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.675 -0.861 . . . . 1.0 108.675 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 t -67.82 -31.44 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.258 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' C' ' 70' ' ' ILE . 32.9 mtt -61.12 -34.88 75.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.027 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 mm -53.04 -49.11 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -81.73 -21.61 10.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.384 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.31 -70.06 0.71 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.674 -0.411 . . . . 1.0 111.062 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' C' ' 73' ' ' SER . 18.5 mt -57.1 -65.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.551 ' C ' ' H ' ' C' ' 73' ' ' SER . 0.1 OUTLIER -46.36 -40.51 12.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.715 -178.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' C' ' 76' ' ' GLU . 2.3 t30 -58.52 -4.66 0.43 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.551 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.6 m -90.24 -46.28 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.536 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.8 -51.26 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.432 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 pt -66.86 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.204 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' C' ' 72' ' ' ASN . 51.0 mm-40 -93.5 -28.77 15.89 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 108.662 -0.866 . . . . 1.0 108.662 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -64.11 -46.27 84.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.345 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.96 -45.12 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.78 -26.08 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.665 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' C' ' 76' ' ' GLU . 28.8 t70 -80.39 -98.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 15.4 mmm180 -96.66 -16.24 21.06 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' C' ' 77' ' ' ALA . 3.8 tt 34.98 96.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.024 0.44 . . . . 1.0 111.542 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -84.81 -39.01 8.96 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 83' ' ' GLY . 11.9 t 47.45 98.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -60.84 169.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -84.33 -15.04 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -55.43 -25.29 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.981 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.89 106.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.073 -0.343 . . . . 1.0 110.073 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.3 tp -174.43 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' SER . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' GLY . 20.4 p -70.84 32.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.257 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.85 170.53 0.04 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.664 -0.974 . . . . 1.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.65 -21.35 25.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.043 0.449 . . . . 1.0 110.146 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.59 60.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.708 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.68 -30.75 70.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.577 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 55.3 m-20 -43.62 -40.36 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.717 0.294 . . . . 1.0 111.126 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.84 59.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.0 109.995 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.68 -36.97 94.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 49.4 m -48.29 -30.91 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.925 0.393 . . . . 1.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.22 -50.93 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.761 -0.459 . . . . 1.0 109.761 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.12 -25.43 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.548 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.544 ' CG2' ' H ' ' C' ' 102' ' ' LEU . 21.2 m -66.95 -60.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.515 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.544 ' H ' ' CG2' ' C' ' 101' ' ' VAL . 12.7 mt -53.86 -49.85 67.57 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.945 -0.702 . . . . 1.0 110.15 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' C' ' 106' ' ' ILE . 16.8 mt -64.75 -24.34 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.282 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.37 -48.18 3.68 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.988 0.423 . . . . 1.0 110.521 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -38.95 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 103' ' ' ILE . 15.2 mt -74.06 -62.4 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 120.461 -0.495 . . . . 1.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' C' ' 109' ' ' VAL . 0.4 OUTLIER -48.48 -75.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.865 -178.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -32.25 -33.0 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.866 0.365 . . . . 1.0 111.826 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.5 t -89.85 -77.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . 0.411 HG22 HD12 ' C' ' 110' ' ' ILE . 21.6 mm -49.69 -27.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.713 0.292 . . . . 1.0 110.884 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 97.0 m -59.56 -47.67 84.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -75.43 -26.13 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.73 -58.12 7.12 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' C' ' 115' ' ' LEU . 3.4 tp -59.95 -43.32 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.615 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' C' ' 114' ' ' ILE . 76.3 mt -60.88 -41.27 95.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 1.0 110.351 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . 0.431 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 11.0 tp -62.42 -46.57 87.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.185 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -68.02 -27.87 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 69.3 m -65.28 -38.2 89.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.13 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' C' ' 120' ' ' PHE . 1.9 p-80 -76.52 -43.87 37.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.479 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' C' ' 119' ' ' HIS . 36.2 t80 -45.28 146.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.956 -1.469 . . . . 1.0 110.918 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 pt -60.62 -16.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.19 42.49 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' A' ' 30' ' ' ALA . 70.1 tt0 179.67 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.08 0.467 . . . . 1.0 110.763 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.168 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -38.35 -31.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.509 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 32' ' ' ARG . 55.8 p90 -90.43 -45.38 9.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.019 0.437 . . . . 1.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.548 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 27.6 ttm-85 -63.69 -27.53 69.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.771 -0.649 . . . . 1.0 109.98 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 35' ' ' GLY . 27.4 mt-30 -59.61 -60.99 2.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.36 -26.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.0 111.25 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -94.68 -45.93 3.06 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.518 -0.633 . . . . 1.0 111.518 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -44.17 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 122.669 -0.313 . . . . 1.0 111.06 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -61.12 -70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 1.0 110.22 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 m -40.41 -19.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.019 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.72 -55.79 3.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.4 tp -59.77 -33.54 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.033 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.07 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.92 -1.036 . . . . 1.0 110.593 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.1 t -91.26 -40.22 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.03 -48.8 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.657 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.08 -46.5 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.93 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.57 74.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.26 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -60.01 -51.76 68.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.52 -32.87 65.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.288 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.92 110.13 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 1.0 110.643 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.77 37.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.951 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' ALA . 27.9 p30 -106.21 157.71 17.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.911 0.386 . . . . 1.0 110.135 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -60.63 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.193 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tt -176.69 -11.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.26 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' LEU . 20.9 m -43.32 -46.87 6.57 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.715 0.293 . . . . 1.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -39.72 19.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' ILE . 24.7 t -60.48 -29.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.622 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' THR . 39.4 tp -47.56 -43.84 25.63 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.14 -38.29 68.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 62' ' ' VAL . 68.1 mt -77.76 -54.97 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.029 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 m -44.08 -39.9 4.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.68 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 p -64.0 -45.72 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.765 -0.828 . . . . 1.0 108.765 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ILE . 99.4 t -69.66 -26.99 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.05 -0.977 . . . . 1.0 110.412 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' ILE . 23.1 ttt -57.34 -38.56 74.31 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.7 -35.9 81.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.55 -41.09 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.284 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.2 mtt -54.25 -36.14 63.26 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.9 -24.7 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 120.069 -0.653 . . . . 1.0 109.284 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.16 -27.88 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.773 0.321 . . . . 1.0 111.236 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.79 -57.2 2.35 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.124 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' SER . 45.4 mm -59.54 -58.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 73' ' ' SER . 3.9 tt -46.09 -43.62 14.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.89 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.47 -9.82 0.35 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.382 0.611 . . . . 1.0 109.835 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.509 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 t -89.61 -49.11 6.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.624 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.21 70.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.949 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -63.94 -15.51 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.461 -0.79 . . . . 1.0 109.67 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' ASP . 58.5 tt0 -93.48 -29.3 15.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.71 -51.05 68.68 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.047 -0.978 . . . . 1.0 110.776 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -54.89 -41.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.658 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.6 m -84.69 -26.23 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.333 -0.547 . . . . 1.0 110.524 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 76' ' ' GLU . 7.5 m-20 -82.48 -106.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.879 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -104.69 -54.91 2.43 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.051 0.389 . . . . 1.0 112.051 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.51 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.03 -99.32 2.55 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.3 m 50.57 42.45 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 1.0 110.693 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -57.56 -73.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 54.8 t80 -85.38 -15.0 44.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.011 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 7.0 t60 -54.88 -62.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.005 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.48 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.2 tp -172.03 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.9 m -71.51 19.32 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.98 169.29 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.475 -1.05 . . . . 1.0 110.475 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.01 -21.37 24.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.164 0.507 . . . . 1.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.7 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.649 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.56 -27.7 67.17 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.35 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.072 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.4 mtt -75.03 -47.08 30.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.88 -36.99 93.75 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 m -48.82 -33.82 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.77 0.319 . . . . 1.0 110.774 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.97 -52.95 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.23 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.307 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLY . 16.8 t -67.59 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.55 -47.24 66.88 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.16 0.505 . . . . 1.0 110.064 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' VAL . 13.2 mm -73.4 -21.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.48 4.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.397 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 tt -68.84 -40.01 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.855 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' ILE . 96.4 mt -71.89 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.848 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' VAL . 1.8 t -49.26 -72.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.828 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -33.73 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.831 0.348 . . . . 1.0 111.741 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.8 t -93.66 -75.35 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.957 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 110' ' ' ILE . 1.6 mp -45.69 -42.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.603 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.48 -41.01 88.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.549 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 1.0 110.215 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.83 -57.82 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.828 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.11 -40.5 89.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.76 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.81 -31.77 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -40.28 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.976 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -59.62 -22.01 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.2 -32.51 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.469 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 1.3 m80 -63.36 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.623 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.7 t80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.395 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -60.64 -16.76 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.719 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.16 42.48 1.36 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.376 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.437 ' C ' ' H ' ' B' ' 30' ' ' ALA . 70.0 tt0 179.71 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.041 0.448 . . . . 1.0 110.72 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.2 5.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -38.43 -31.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.482 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' B' ' 32' ' ' ARG . 56.1 p90 -90.43 -45.44 8.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.976 0.417 . . . . 1.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.555 ' N ' ' CD2' ' B' ' 31' ' ' PHE . 27.5 ttm-85 -63.57 -27.68 69.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' B' ' 35' ' ' GLY . 27.4 mt-30 -59.46 -61.04 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.51 -26.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -94.75 -45.88 3.05 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.515 -0.634 . . . . 1.0 111.515 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.08 -44.13 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 122.752 -0.263 . . . . 1.0 111.029 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -61.23 -70.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 1.0 110.08 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 m -40.51 -18.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.01 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.84 -55.74 3.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.4 tp -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.034 -0.984 . . . . 1.0 110.048 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.8 -23.05 64.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.588 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.26 -40.18 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.04 -48.86 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.61 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.03 -46.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.877 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.6 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.99 -51.72 68.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.56 -32.9 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.244 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.248 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.97 110.14 3.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.73 37.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.992 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 52' ' ' ALA . 27.7 p30 -106.16 157.77 17.32 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.958 0.408 . . . . 1.0 110.099 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -60.7 -125.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.242 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tt -176.67 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.651 -0.25 . . . . 1.0 111.287 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 57' ' ' LEU . 20.8 m -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.334 -0.099 0 O-C-N 122.192 -0.317 . . . . 1.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -39.74 18.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.949 0.404 . . . . 1.0 109.968 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 59' ' ' ILE . 24.5 t -60.48 -29.41 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.624 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 54' ' ' THR . 38.9 tp -47.46 -43.78 24.52 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.22 -38.33 68.29 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' B' ' 62' ' ' VAL . 66.2 mt -77.74 -54.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.081 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.5 m -44.06 -39.94 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.629 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.6 p -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.668 -0.864 . . . . 1.0 108.668 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 59' ' ' ILE . 97.7 t -69.49 -27.04 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.463 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 23.4 ttt -57.41 -38.56 74.52 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.58 -35.96 81.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.53 -41.11 87.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.313 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.1 mtt -54.28 -36.17 63.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.472 -0.566 . . . . 1.0 109.472 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.86 -24.71 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.044 -0.662 . . . . 1.0 109.317 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.18 -27.84 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 120.747 0.308 . . . . 1.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -96.86 -57.05 2.38 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.139 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.8 mm -59.67 -58.79 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' B' ' 73' ' ' SER . 3.9 tt -46.15 -43.73 15.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.43 -0.508 . . . . 1.0 109.766 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.81 0.33 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.315 0.578 . . . . 1.0 109.95 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.6 t -89.66 -49.06 6.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.608 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.34 69.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.84 -15.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.729 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 58.1 tt0 -93.5 -29.26 15.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.665 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 m -54.85 -41.19 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.553 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 8.0 m -84.56 -26.27 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.517 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 7.5 m-20 -82.42 -106.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.097 -0.641 . . . . 1.0 110.89 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -104.63 -54.95 2.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.48 140.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.04 -99.3 2.55 Favored Glycine 0 N--CA 1.467 0.713 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 65.3 m 50.56 42.41 26.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 1.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.54 -73.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.113 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' B' ' 86' ' ' TYR . 54.7 t80 -85.31 -14.97 44.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 89' ' ' LEU . 7.0 t60 -54.82 -62.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.021 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -47.58 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.482 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.2 tp -172.03 -51.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.3 m -71.48 19.37 0.06 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 111.025 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.0 169.26 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.03 -21.28 24.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 1.0 109.892 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.64 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.673 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.7 -27.54 66.92 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -43.55 -40.89 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.069 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.11 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.93 -37.01 93.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.7 m -48.77 -33.9 11.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.721 0.296 . . . . 1.0 110.744 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.93 -52.94 4.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.7 -22.15 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.307 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' B' ' 97' ' ' GLY . 16.9 t -67.62 -58.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.427 -0.582 . . . . 1.0 109.427 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.36 -47.29 66.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.187 0.518 . . . . 1.0 110.116 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' B' ' 107' ' ' VAL . 13.1 mm -73.38 -21.34 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.656 -0.417 . . . . 1.0 111.172 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.42 -45.42 4.36 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.51 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 tt -68.79 -40.07 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 110' ' ' ILE . 96.4 mt -71.87 -63.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.73 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' B' ' 109' ' ' VAL . 1.8 t -49.33 -72.76 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.233 -0.439 . . . . 1.0 109.91 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -33.86 -34.65 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 111.721 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.7 t -93.61 -75.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.042 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' B' ' 106' ' ' ILE . 1.6 mp -45.71 -42.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.613 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.56 -41.02 89.19 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.33 -28.58 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.997 0.427 . . . . 1.0 110.25 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.88 -57.84 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.763 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.09 -40.41 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.806 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.91 -31.66 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 1.0 109.922 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -40.34 69.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.953 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -59.76 -21.88 61.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.357 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' SER . . . . . 0.402 ' OG ' ' OD2' ' C' ' 51' ' ' ASP . 7.1 m -70.27 -32.43 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.453 ' HD1' ' N ' ' B' ' 119' ' ' HIS . 1.3 m80 -63.36 -41.99 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.407 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.62 -16.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.76 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.23 42.5 1.36 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.363 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' C' ' 30' ' ' ALA . 70.1 tt0 179.61 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.734 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.26 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.219 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -38.35 -31.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.527 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' C' ' 32' ' ' ARG . 55.7 p90 -90.45 -45.52 8.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.973 0.416 . . . . 1.0 110.821 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' C' ' 31' ' ' PHE . 27.4 ttm-85 -63.52 -27.71 69.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.96 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' C' ' 35' ' ' GLY . 27.5 mt-30 -59.52 -61.06 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.16 -0.682 . . . . 1.0 109.16 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -40.39 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.305 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.74 -46.01 3.02 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 111.399 -0.68 . . . . 1.0 111.399 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.02 -44.14 77.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 O-C-N 122.688 -0.301 . . . . 1.0 111.042 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -61.13 -70.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 1.0 110.138 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 18.0 m -40.41 -19.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.698 . . . . 1.0 110.999 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.79 -55.82 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.4 tp -59.59 -33.67 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.028 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -23.05 64.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.539 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 45.9 t -91.25 -40.13 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.964 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.94 -48.95 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 1.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.05 -46.49 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.908 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.57 74.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.99 -51.82 68.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -56.35 -32.96 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.292 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.9 128.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.274 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.89 110.11 3.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.72 37.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.984 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' C' ' 52' ' ' ALA . 27.8 p30 -106.14 157.75 17.32 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.902 0.382 . . . . 1.0 110.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -60.71 -125.48 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.169 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tt -176.71 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.232 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 20.9 m -43.34 -46.89 6.63 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-O 120.727 0.299 . . . . 1.0 111.226 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -39.77 18.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.917 0.389 . . . . 1.0 109.977 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' C' ' 59' ' ' ILE . 24.4 t -60.5 -29.33 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.59 -43.79 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.86 -0.422 . . . . 1.0 109.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.13 -38.37 68.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' C' ' 63' ' ' MET . 67.9 mt -77.68 -55.07 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.637 -0.71 . . . . 1.0 110.035 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 18.1 m -43.97 -40.02 4.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.661 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 16.9 p -63.97 -45.63 88.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' C' ' 59' ' ' ILE . 98.5 t -69.67 -27.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.453 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' C' ' 59' ' ' ILE . 23.1 ttt -57.3 -38.73 74.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.46 -36.02 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.57 -40.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.323 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.482 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.1 mtt -54.37 -36.18 63.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 73.4 mt -59.78 -24.73 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.056 -0.658 . . . . 1.0 109.327 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.12 -27.89 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.709 0.29 . . . . 1.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -96.82 -57.09 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.172 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 73' ' ' SER . 45.0 mm -59.59 -58.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' C' ' 73' ' ' SER . 3.9 tt -46.07 -43.84 14.96 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.4 -0.52 . . . . 1.0 109.771 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.79 0.33 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.356 0.598 . . . . 1.0 109.915 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.534 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.5 t -89.65 -49.12 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.34 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.991 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.86 -15.53 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.705 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' C' ' 80' ' ' ASP . 57.8 tt0 -93.48 -29.28 15.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.884 -1.154 . . . . 1.0 107.884 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.999 -1.001 . . . . 1.0 110.704 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 m -54.89 -41.1 55.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.606 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 m -84.65 -26.22 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.469 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' C' ' 76' ' ' GLU . 7.5 m-20 -82.44 -106.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.106 -0.638 . . . . 1.0 110.912 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -104.56 -54.99 2.42 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.093 0.405 . . . . 1.0 112.093 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.53 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.01 -99.3 2.54 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 64.1 m 50.63 42.41 26.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.771 0.319 . . . . 1.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.61 -73.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.082 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 55.0 t80 -85.41 -14.98 44.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' C' ' 89' ' ' LEU . 7.0 t60 -54.86 -62.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.001 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.52 89.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.937 -0.305 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.538 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.3 tp -172.07 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -71.46 19.36 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.934 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.94 169.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.53 -1.028 . . . . 1.0 110.53 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -88.01 -21.42 24.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 1.0 109.817 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.7 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.668 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -67.68 -27.63 67.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.41 -41.0 4.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.067 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.04 31.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -64.92 -36.94 93.68 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.6 m -48.91 -33.79 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.315 . . . . 1.0 110.725 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.98 4.33 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 1.0 109.788 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -22.11 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' C' ' 97' ' ' GLY . 16.8 t -67.72 -58.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 -47.36 66.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.112 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' C' ' 107' ' ' VAL . 13.1 mm -73.28 -21.41 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.24 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.34 -45.43 4.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.595 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 12.8 tt -68.77 -40.06 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.919 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' C' ' 110' ' ' ILE . 96.4 mt -71.96 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' C' ' 109' ' ' VAL . 1.8 t -49.3 -72.84 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -33.83 -34.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.814 0.34 . . . . 1.0 111.745 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' C' ' 107' ' ' VAL . 43.7 t -93.57 -75.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.041 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' C' ' 110' ' ' ILE . 1.6 mp -45.79 -41.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.562 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.55 -41.06 89.24 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.477 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.34 -28.53 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.257 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.94 -57.75 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.802 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.15 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.806 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.9 -31.76 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.57 -40.34 70.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.019 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -59.72 -22.01 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.1 -32.46 70.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.472 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 1.3 m80 -63.48 -41.92 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.616 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -154.99 143.5 20.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.988 -1.451 . . . . 1.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.873 0.368 . . . . 1.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.2 pt -83.43 -28.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.355 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -107.56 42.81 1.27 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.352 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 30' ' ' ALA . 64.9 tt0 -179.69 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.548 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -63.38 4.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.221 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -37.01 -38.89 0.2 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.86 0.362 . . . . 1.0 111.166 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -64.83 -51.67 60.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 1.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ALA . 72.5 mtt180 -58.67 -38.17 77.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.344 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -60.05 -8.86 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.445 . . . . 1.0 110.637 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 32' ' ' ARG . 27.8 mm-40 -107.95 -45.28 4.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.867 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -53.76 20.65 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 108.829 -1.708 . . . . 1.0 108.829 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.2 t -56.82 -39.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.31 -7.03 0.49 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.755 0.312 . . . . 1.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.489 ' H ' ' C ' ' A' ' 36' ' ' VAL . 3.1 t -100.47 -16.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.571 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.655 0.264 . . . . 1.0 110.843 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 8.1 mp -58.9 -42.98 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.87 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.03 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.447 0.536 . . . . 1.0 112.447 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -94.23 -38.15 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 112.089 0.403 . . . . 1.0 112.089 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.8 -46.31 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.695 0.283 . . . . 1.0 110.84 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.1 -46.29 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 1.0 110.851 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.7 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.726 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.8 t -63.05 -56.49 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.146 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.92 -56.81 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.93 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.27 -154.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.218 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.23 -161.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.2 156.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.109 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' ALA . 18.5 m-20 -158.24 -141.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -43.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.446 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.3 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.375 -179.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 p -43.92 -27.7 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 1.0 110.057 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.14 92.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.059 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' ILE . 24.7 t -48.25 -40.53 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -49.29 -47.95 46.48 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 58' ' ' LEU . 7.6 mp -55.69 -41.12 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 1.5 mp -76.87 -55.54 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.141 0.495 . . . . 1.0 109.808 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -48.25 -47.88 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.83 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 p -64.69 -64.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 1.0 111.447 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.48 -24.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.411 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.8 tpp -55.55 -31.28 62.01 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.158 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 4.1 mm? -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.01 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 108.8 -0.815 . . . . 1.0 108.8 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.4 mtt -66.99 -35.12 79.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.118 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 45.0 mt -60.13 -34.63 57.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.61 -0.436 . . . . 1.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 3.4 p -90.69 -21.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.823 -0.548 . . . . 1.0 110.269 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.52 -60.91 1.66 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.619 0.247 . . . . 1.0 111.439 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' SER . 17.0 mt -65.32 -58.55 6.53 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.379 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -48.74 -42.82 36.51 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.44 -0.504 . . . . 1.0 109.784 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 29.4 m-20 -64.41 -8.05 12.02 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.436 0.636 . . . . 1.0 109.439 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -91.25 -51.3 5.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.923 179.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.64 64.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.764 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.08 -36.25 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 119.686 -0.806 . . . . 1.0 109.208 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 9.6 tm-20 -85.42 -29.36 24.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.942 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.84 -55.02 40.56 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.607 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.89 -30.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.38 -24.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.511 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' GLU . 41.2 t0 -83.17 -111.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.907 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 99.6 mtt180 -104.77 -47.46 4.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.888 0.375 . . . . 1.0 110.961 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.601 ' H ' ' CD1' ' A' ' 82' ' ' ILE . 2.0 mp -39.48 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.761 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 82' ' ' ILE . . . 123.82 40.81 0.44 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.6 p -141.26 80.95 1.76 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.96 0.41 . . . . 1.0 110.392 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -90.36 116.38 28.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.316 179.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -83.72 -26.3 29.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 88' ' ' GLU . 19.1 p-80 -84.23 -51.47 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.762 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.571 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 52.4 tt0 -42.37 137.42 2.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.644 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.81 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -86.53 46.83 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.197 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.36 166.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.287 -0.725 . . . . 1.0 111.287 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -21.47 27.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.67 73.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.306 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' GLY . 14.8 ttpp -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.515 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -42.04 -35.54 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -65.99 -39.03 94.66 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.93 -29.14 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.793 0.33 . . . . 1.0 110.908 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.3 -47.18 8.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.138 -0.69 . . . . 1.0 109.138 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -56.7 -19.95 19.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.17 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 36.3 t -72.01 -57.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 102' ' ' LEU . 3.8 mm? -71.38 -29.23 64.7 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.067 0.461 . . . . 1.0 110.935 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -28.95 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.286 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . -56.51 -41.3 76.46 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.656 0.243 . . . . 1.0 111.656 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.6 pt -61.04 -48.13 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.413 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.72 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.151 -0.62 . . . . 1.0 111.116 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 109' ' ' VAL . 3.0 t -81.14 -74.29 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.209 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.83 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.465 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 107' ' ' VAL . 27.1 t -94.88 -83.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.323 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -46.14 -32.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 111.627 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.01 -54.1 39.68 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.2 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.26 -24.58 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.38 -57.53 8.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.78 -46.02 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.936 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.0 mp -57.37 -38.69 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.84 -34.38 73.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.877 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -76.25 -25.08 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.121 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -69.88 -37.15 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 115' ' ' LEU . 4.7 m170 -66.46 -46.61 75.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.744 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.88 0.371 . . . . 1.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 pt -83.42 -28.57 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.369 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -107.57 42.69 1.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.357 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' B' ' 30' ' ' ALA . 65.0 tt0 -179.62 -86.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' B' ' 32' ' ' ARG . . . -63.43 4.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.2 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -37.05 -38.81 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.826 0.346 . . . . 1.0 111.187 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -64.96 -51.65 60.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.073 0.463 . . . . 1.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 29' ' ' ALA . 72.4 mtt180 -58.62 -38.2 77.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.364 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.99 -8.84 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.03 0.443 . . . . 1.0 110.67 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 32' ' ' ARG . 27.8 mm-40 -107.97 -45.33 4.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 109.89 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.07 -53.79 20.71 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.792 -1.723 . . . . 1.0 108.792 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' B' ' 38' ' ' VAL . 48.1 t -56.7 -39.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.12 -7.07 0.45 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.83 0.347 . . . . 1.0 110.607 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' B' ' 36' ' ' VAL . 3.1 t -100.48 -16.48 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.631 0.253 . . . . 1.0 110.862 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 8.1 mp -58.92 -42.9 90.79 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.898 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.96 85.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.487 0.551 . . . . 1.0 112.487 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -94.32 -38.24 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.096 0.406 . . . . 1.0 112.096 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.75 -46.3 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.992 -0.283 . . . . 1.0 110.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.1 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.814 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.82 -39.64 69.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.78 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 32.5 t -63.03 -56.45 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.163 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.94 -56.77 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.953 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.3 -154.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.189 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -90.36 -161.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.12 156.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.087 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' B' ' 52' ' ' ALA . 18.3 m-20 -158.27 -141.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.774 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -42.92 166.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.489 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.623 ' N ' ' CD1' ' B' ' 53' ' ' ILE . 0.1 OUTLIER -140.33 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.347 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.0 p -43.98 -27.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 1.0 110.084 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.11 -40.15 92.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.047 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 53' ' ' ILE . 24.8 t -48.17 -40.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.424 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -49.51 -47.83 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.286 -0.566 . . . . 1.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' B' ' 58' ' ' LEU . 7.6 mp -55.7 -41.1 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.077 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' B' ' 59' ' ' ILE . 1.5 mp -76.86 -55.59 10.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.09 0.471 . . . . 1.0 109.789 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.94 34.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.75 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 41.8 p -64.72 -64.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.43 -24.33 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 36.2 tpp -55.49 -31.98 62.46 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' B' ' 64' ' ' LEU . 4.2 mm? -61.29 -41.55 97.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.68 -0.859 . . . . 1.0 108.68 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.99 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 108.862 -0.792 . . . . 1.0 108.862 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.5 mtt -66.86 -35.03 79.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.099 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' B' ' 71' ' ' LEU . 47.1 mt -60.3 -34.63 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.622 -0.431 . . . . 1.0 109.932 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 3.4 p -90.63 -21.27 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.733 -0.604 . . . . 1.0 110.307 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.57 -61.02 1.63 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.605 0.24 . . . . 1.0 111.456 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 73' ' ' SER . 17.1 mt -65.19 -58.56 6.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.944 -0.302 . . . . 1.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' B' ' 67' ' ' ILE . 0.8 OUTLIER -48.73 -42.8 36.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.861 -179.32 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 29.6 m-20 -64.36 -8.09 11.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.456 0.646 . . . . 1.0 109.483 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.549 ' N ' ' O ' ' B' ' 70' ' ' ILE . 0.7 OUTLIER -91.21 -51.35 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.874 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.63 64.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.758 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.09 -36.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.231 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 80' ' ' ASP . 9.6 tm-20 -85.37 -29.41 24.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.027 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.76 -55.06 39.95 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.617 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 -30.31 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.013 -0.736 . . . . 1.0 109.013 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 83.6 t -82.41 -24.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.192 -0.913 . . . . 1.0 109.514 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' GLU . 41.2 t0 -83.21 -111.57 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.869 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 82' ' ' ILE . 99.6 mtt180 -104.78 -47.42 4.05 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.868 0.366 . . . . 1.0 110.986 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.601 ' CD1' ' H ' ' B' ' 82' ' ' ILE . 2.0 mp -39.51 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.728 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' B' ' 82' ' ' ILE . . . 123.69 40.97 0.44 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 88.0 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.951 0.405 . . . . 1.0 110.363 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 0.8 OUTLIER -90.39 116.35 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.258 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.7 -26.27 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.385 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' B' ' 88' ' ' GLU . 19.0 p-80 -84.29 -51.36 7.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.788 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.566 ' H ' ' CD2' ' B' ' 87' ' ' HIS . 52.4 tt0 -42.5 137.46 2.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.633 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.79 -31.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.37 46.75 1.38 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.286 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 167.06 0.42 Allowed Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.91 -21.45 27.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 1.0 109.703 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.68 73.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.671 ' NZ ' ' HG ' ' B' ' 98' ' ' SER . 14.8 ttpp -66.71 -31.9 72.85 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.563 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -41.96 -35.54 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 94' ' ' LYS . . . -65.98 -39.11 94.71 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' SER . . . . . 0.671 ' HG ' ' NZ ' ' B' ' 94' ' ' LYS . 71.1 m -48.03 -29.03 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.937 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.41 -47.14 8.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -56.67 -20.0 19.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.17 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 35.6 t -71.95 -57.91 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.673 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 102' ' ' LEU . 3.8 mm? -71.4 -29.2 64.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.092 0.473 . . . . 1.0 110.906 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.84 -29.03 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -56.45 -41.33 76.29 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.691 0.256 . . . . 1.0 111.691 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 4.6 pt -61.01 -48.25 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.14 -0.624 . . . . 1.0 110.371 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 pt -75.41 -30.69 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 120.226 -0.59 . . . . 1.0 111.209 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' B' ' 109' ' ' VAL . 3.0 t -81.27 -74.25 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.231 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.422 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 107' ' ' VAL . 27.8 t -94.92 -82.89 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.292 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mm -46.3 -32.44 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.555 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.03 -54.07 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.32 -24.55 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.37 -57.55 8.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.563 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.83 -45.99 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.857 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 10.0 mp -57.41 -38.65 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -59.86 -34.34 73.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.903 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.28 -25.06 54.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.134 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -69.98 -36.99 75.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' B' ' 115' ' ' LEU . 4.6 m170 -66.5 -46.5 76.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.703 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.973 0.416 . . . . 1.0 111.06 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 41.2 pt -83.5 -28.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.376 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -107.55 42.74 1.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' C' ' 30' ' ' ALA . 64.8 tt0 -179.68 -86.09 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.538 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' C' ' 32' ' ' ARG . . . -63.4 4.39 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -37.04 -38.87 0.21 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.891 0.377 . . . . 1.0 111.12 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -64.91 -51.74 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.12 0.486 . . . . 1.0 109.766 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' C' ' 29' ' ' ALA . 72.5 mtt180 -58.48 -38.42 77.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.329 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.87 -8.87 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 1.0 110.658 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -107.97 -45.27 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.87 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.29 -53.49 21.37 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 108.798 -1.721 . . . . 1.0 108.798 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' C' ' 38' ' ' VAL . 48.1 t -56.86 -39.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.995 -0.372 . . . . 1.0 109.995 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.3 -7.12 0.51 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.823 0.344 . . . . 1.0 110.664 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' C' ' 36' ' ' VAL . 2.7 t -100.61 -16.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.377 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.98 -56.55 3.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 120.65 0.262 . . . . 1.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 8.1 mp -58.99 -42.89 91.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.91 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.1 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.429 0.529 . . . . 1.0 112.429 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.21 -38.19 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.81 -46.25 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.883 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 94.2 mt -61.1 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.863 -0.335 . . . . 1.0 110.833 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.83 -39.65 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.698 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 31.8 t -63.05 -56.45 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.124 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.98 -56.72 17.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.99 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.34 -154.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.206 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.32 -161.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.09 156.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.018 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' C' ' 52' ' ' ALA . 18.3 m-20 -158.16 -141.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.74 0.305 . . . . 1.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -43.09 166.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.628 ' CD1' ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -140.37 24.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.398 -179.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 75.9 p -43.92 -27.72 0.38 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.145 0.497 . . . . 1.0 110.124 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.08 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.082 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' C' ' 53' ' ' ILE . 24.9 t -48.13 -40.51 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.442 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.39 -47.91 47.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.182 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' C' ' 58' ' ' LEU . 7.6 mp -55.7 -41.0 73.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.087 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' C' ' 59' ' ' ILE . 1.5 mp -76.93 -55.59 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.199 0.523 . . . . 1.0 109.747 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.98 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.729 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 35.1 p -64.74 -64.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 1.0 111.39 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.46 -24.36 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.423 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 36.5 tpp -55.48 -31.87 62.36 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 4.2 mm? -61.3 -41.6 97.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.02 -36.22 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.88 -0.785 . . . . 1.0 108.88 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.5 mtt -66.88 -34.93 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.12 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 46.8 mt -60.41 -34.53 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 C-N-CA 120.512 -0.475 . . . . 1.0 109.982 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 3.4 p -90.71 -21.17 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.75 -0.593 . . . . 1.0 110.281 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.68 -60.89 1.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.533 0.206 . . . . 1.0 111.404 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' C' ' 73' ' ' SER . 17.1 mt -65.41 -58.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' C' ' 67' ' ' ILE . 0.8 OUTLIER -48.83 -42.75 37.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.35 -0.54 . . . . 1.0 109.848 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 29.5 m-20 -64.29 -8.2 12.03 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.439 0.637 . . . . 1.0 109.43 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 70' ' ' ILE . 0.7 OUTLIER -91.18 -51.26 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.924 -1.035 . . . . 1.0 109.979 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.56 65.11 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.72 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 26.6 pt -50.2 -36.26 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.747 -0.781 . . . . 1.0 109.185 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' C' ' 80' ' ' ASP . 9.6 tm-20 -85.34 -29.37 24.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.88 -54.91 41.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.632 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 p -53.97 -30.3 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.993 -0.743 . . . . 1.0 108.993 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.35 -24.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.552 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' C' ' 76' ' ' GLU . 41.0 t0 -83.19 -111.52 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.901 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 99.6 mtt180 -104.85 -47.45 4.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.837 0.351 . . . . 1.0 110.886 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.604 ' H ' ' CD1' ' C' ' 82' ' ' ILE . 2.0 mp -39.51 161.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.71 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.482 ' N ' ' CG2' ' C' ' 82' ' ' ILE . . . 123.85 40.86 0.44 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.189 -1.164 . . . . 1.0 110.189 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.917 0.389 . . . . 1.0 110.341 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' C' ' 85' ' ' GLU . 0.8 OUTLIER -90.35 116.34 28.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.337 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -83.64 -26.37 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.405 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' C' ' 88' ' ' GLU . 19.0 p-80 -84.27 -51.41 7.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.78 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.56 ' H ' ' CD2' ' C' ' 87' ' ' HIS . 52.6 tt0 -42.28 137.36 2.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tp -175.81 -31.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.52 46.83 1.39 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.271 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.4 166.98 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.263 -0.735 . . . . 1.0 111.263 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.87 -21.59 27.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.69 73.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -66.81 -31.84 72.74 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.541 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -42.04 -35.47 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 50.3 mtt -73.5 -45.65 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.89 -39.08 94.84 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.98 -29.09 3.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 1.0 110.948 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.39 -47.17 8.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -56.59 -20.09 19.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.145 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 35.4 t -71.95 -57.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.642 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' C' ' 102' ' ' LEU . 3.8 mm? -71.37 -29.19 64.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.088 0.47 . . . . 1.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -29.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' C' ' 100' ' ' ALA . . . -56.53 -41.22 76.42 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.704 0.261 . . . . 1.0 111.704 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 4.6 pt -61.15 -48.07 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.352 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.66 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.218 -0.593 . . . . 1.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' C' ' 109' ' ' VAL . 3.0 t -81.22 -74.3 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.217 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.45 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' C' ' 107' ' ' VAL . 27.9 t -94.92 -83.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.297 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.9 mm -46.22 -32.39 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.662 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.04 -54.03 40.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -55.28 -24.65 29.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.29 -57.58 8.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.91 -45.95 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 10.0 mp -57.4 -38.71 74.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.86 -34.29 72.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.918 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -76.33 -25.01 54.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.133 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 30.6 t -69.9 -37.13 75.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.5 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' C' ' 115' ' ' LEU . 4.6 m170 -66.34 -46.7 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.701 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -72.66 147.19 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.683 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.97 -1.461 . . . . 1.0 110.872 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.367 -0.234 . . . . 1.0 110.367 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -65.55 -21.69 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 1.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.54 42.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 29.8 tt0 -177.77 -90.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.16 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.91 4.48 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.548 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.46 -33.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.768 0.318 . . . . 1.0 111.189 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.4 -49.83 6.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.035 0.445 . . . . 1.0 110.781 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' NH2' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -63.26 -24.66 67.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.042 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 35' ' ' GLY . 8.3 tp-100 -59.49 -57.48 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.66 -25.64 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.605 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -91.57 -48.62 3.17 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.67 -34.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.802 -0.234 . . . . 1.0 111.02 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -63.31 -72.05 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.761 0.315 . . . . 1.0 110.335 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 3.8 p -39.64 -17.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.263 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.9 tp -90.36 -47.07 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 37' ' ' ALA . 83.8 mt -69.02 -34.72 75.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.0 110.526 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -61.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 34.3 m -47.76 -38.15 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.933 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.27 -43.48 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.81 -47.6 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.172 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -39.17 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.362 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 48' ' ' LEU . 41.2 t -60.72 -48.47 81.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.76 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -49.37 -17.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.194 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' CYS . 0.8 OUTLIER 179.6 93.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.86 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.5 90.88 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.41 ' C ' ' HG ' ' C' ' 118' ' ' SER . 98.7 t -152.02 92.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.438 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.38 144.92 34.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.161 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.16 -76.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.597 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 56' ' ' VAL . 21.5 tt -173.2 -36.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 60.8 m -34.58 -29.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.709 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.7 tmt_? -79.4 -48.24 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.412 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 53' ' ' ILE . 83.7 t -71.39 -37.68 65.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.172 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.82 -49.79 28.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 2.6 mm? -47.1 -45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.566 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -49.53 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.45 -55.13 14.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.959 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 24.8 p -63.96 -58.29 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 1.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' N ' ' OG ' ' A' ' 61' ' ' SER . 64.1 t -49.95 -29.05 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.578 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.549 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.55 -32.09 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.733 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.57 -47.71 66.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.063 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -66.23 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.1 mtt -66.71 -33.21 75.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 tp -47.66 -39.95 7.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.218 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -89.89 -20.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -92.15 -62.35 1.43 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.345 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' SER . 38.8 mt -64.67 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.297 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.15 -43.49 31.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.982 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' OD1' ' OG ' ' C' ' 84' ' ' SER . 15.3 t30 -64.23 -10.34 22.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.234 0.54 . . . . 1.0 109.718 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t -89.43 -52.48 5.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.338 -0.846 . . . . 1.0 108.855 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.06 70.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.121 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.89 -38.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.276 -0.875 . . . . 1.0 108.948 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ASP . 30.2 mm-40 -85.55 -23.85 27.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.422 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -53.47 57.99 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.454 -0.499 . . . . 1.0 109.91 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.66 -32.01 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.087 -0.708 . . . . 1.0 109.087 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.76 -24.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.041 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 m-20 -79.56 -106.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.161 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -104.01 -57.62 2.01 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.949 -0.3 . . . . 1.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.565 ' CG2' ' H ' ' A' ' 83' ' ' GLY . 2.0 tp 161.54 -63.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 124.016 0.823 . . . . 1.0 109.668 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.565 ' H ' ' CG2' ' A' ' 82' ' ' ILE . . . 58.96 -143.03 45.93 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.66 -0.976 . . . . 1.0 110.66 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' B' ' 72' ' ' ASN . 24.1 p 47.18 -176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 1.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -50.32 115.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 63.0 t80 -83.78 -14.5 51.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.471 ' O ' ' O ' ' A' ' 88' ' ' GLU . 70.8 m-70 -55.29 -63.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.093 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 87' ' ' HIS . 34.1 tt0 46.87 104.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.735 0.302 . . . . 1.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 91' ' ' GLY . 2.0 pp -177.93 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.102 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 91' ' ' GLY . 17.8 m -72.45 28.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.304 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.28 169.28 0.03 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.83 -27.97 26.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 1.0 110.102 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.21 74.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.73 -29.14 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.689 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.07 -44.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.313 . . . . 1.0 111.185 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 35.0 mmm -72.46 -45.21 60.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.738 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -65.38 -39.49 95.86 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.563 -0.615 . . . . 1.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.75 -31.29 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.774 -0.251 . . . . 1.0 111.104 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.3 -48.45 8.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -65.08 -21.21 66.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.615 . . . . 1.0 111.494 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.2 t -64.1 -66.23 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.786 0.327 . . . . 1.0 110.286 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.1 mt -52.67 -45.6 66.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.704 0.764 . . . . 1.0 109.997 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 106' ' ' ILE . 21.0 mt -70.66 -24.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -38.1 -49.61 1.32 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.074 0.464 . . . . 1.0 110.83 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 82.2 mt -66.16 -38.6 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.851 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.8 mt -75.5 -61.94 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 120.492 -0.483 . . . . 1.0 111.613 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.674 ' CG1' ' H ' ' A' ' 108' ' ' ALA . 7.5 p -50.13 -75.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.359 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.674 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . -35.35 -30.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.896 0.332 . . . . 1.0 111.896 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 107' ' ' VAL . 77.7 t -84.86 -76.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.33 -23.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.085 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 74.5 m -58.56 -52.89 63.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.966 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.5 ' CD2' ' O ' ' A' ' 108' ' ' ALA . 4.6 m0 -76.48 -26.95 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.489 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 8.3 m -64.75 -59.15 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.468 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.18 -42.16 93.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.473 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.83 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 7.8 tp -65.85 -38.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.24 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.422 ' N ' ' CD1' ' A' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.77 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 1.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.04 -34.17 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.543 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.683 ' HD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.17 -17.92 63.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.833 -179.236 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.683 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 52.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.32 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 120.643 0.258 . . . . 1.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -65.36 -21.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.0 110.673 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.57 42.53 1.38 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' B' ' 32' ' ' ARG . 29.7 tt0 -177.72 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.059 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.77 4.43 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.587 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.68 -33.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.782 0.325 . . . . 1.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.42 -49.77 7.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.063 0.459 . . . . 1.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -63.39 -24.47 67.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.001 -179.349 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -41.75 -25.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -91.56 -48.56 3.19 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.69 -34.07 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.797 -0.237 . . . . 1.0 111.05 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -63.26 -72.03 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 1.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 3.7 p -39.73 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.298 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.9 tp -90.39 -47.11 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' B' ' 37' ' ' ALA . 83.6 mt -68.95 -34.71 75.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.98 -1.009 . . . . 1.0 110.505 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.87 -61.48 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 34.4 m -47.73 -38.07 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.983 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 t -55.3 -43.48 71.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.92 -47.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.171 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.19 66.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' B' ' 48' ' ' LEU . 41.1 t -60.68 -48.42 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.808 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -49.44 -17.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.169 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 46' ' ' CYS . 0.8 OUTLIER 179.69 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.821 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.51 90.98 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.9 t -152.12 92.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.26 144.9 34.93 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.215 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -76.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.609 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 56' ' ' VAL . 21.4 tt -173.09 -36.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 61.0 m -34.59 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.696 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 53' ' ' ILE . 1.7 tmt_? -79.44 -48.33 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.4 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' B' ' 53' ' ' ILE . 84.4 t -71.35 -37.6 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.188 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.91 -49.76 28.93 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.412 ' O ' ' CG2' ' B' ' 62' ' ' VAL . 2.6 mm? -46.98 -45.49 20.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.574 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.65 -49.59 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.357 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -49.51 -55.06 14.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.936 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 24.6 p -63.93 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 1.0 110.344 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.448 ' N ' ' OG ' ' B' ' 61' ' ' SER . 65.5 t -49.92 -29.01 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 30.5 ttp -58.58 -32.08 68.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.467 -0.493 . . . . 1.0 109.729 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.019 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.18 -37.53 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.49 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' B' ' 70' ' ' ILE . 42.9 mtt -66.78 -33.19 75.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 tp -47.65 -39.95 7.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.152 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -89.89 -21.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 121.092 -0.243 . . . . 1.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.13 -62.4 1.42 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 121.142 -0.223 . . . . 1.0 111.374 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 38.3 mt -64.61 -59.23 4.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.298 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.23 -43.24 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.186 -0.606 . . . . 1.0 110.085 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.425 ' OD1' ' OG ' ' A' ' 84' ' ' SER . 15.4 t30 -64.33 -10.33 23.58 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.264 0.554 . . . . 1.0 109.734 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.3 t -89.43 -52.45 5.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.304 -0.862 . . . . 1.0 108.875 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.12 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.127 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.88 -38.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 1.0 109.04 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.82 27.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.519 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.54 57.17 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.942 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.57 -32.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.128 -0.693 . . . . 1.0 109.128 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.81 -23.98 9.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.083 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.8 m-20 -79.54 -106.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.124 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.97 -57.68 2.0 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.793 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.559 ' CG2' ' H ' ' B' ' 83' ' ' GLY . 1.9 tp 161.57 -63.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.035 0.834 . . . . 1.0 109.665 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.559 ' H ' ' CG2' ' B' ' 82' ' ' ILE . . . 58.86 -142.88 45.8 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.421 ' OG ' ' OD1' ' C' ' 72' ' ' ASN . 23.7 p 47.02 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 1.0 110.917 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' B' ' 86' ' ' TYR . 62.9 t80 -83.76 -14.61 51.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' B' ' 88' ' ' GLU . 71.0 m-70 -55.29 -63.24 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.096 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 87' ' ' HIS . 34.1 tt0 46.89 104.34 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.681 0.277 . . . . 1.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 2.0 pp -178.01 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.043 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 91' ' ' GLY . 17.6 m -72.47 28.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.314 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.2 169.32 0.03 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -84.8 -27.98 26.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.07 0.462 . . . . 1.0 110.065 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.22 -50.16 74.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.001 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.75 -29.18 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.658 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -39.96 -45.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 1.0 111.212 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 35.4 mmm -72.43 -45.26 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -65.35 -39.48 95.9 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.597 -0.601 . . . . 1.0 111.597 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.76 -31.31 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.714 0.293 . . . . 1.0 111.121 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.22 -48.47 8.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -65.09 -21.22 66.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.54 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 97' ' ' GLY . 6.2 t -64.18 -66.22 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.56 -45.74 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.752 0.787 . . . . 1.0 109.984 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 106' ' ' ILE . 20.6 mt -70.62 -24.31 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -38.28 -49.45 1.39 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.968 0.413 . . . . 1.0 110.807 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 82.8 mt -66.24 -38.66 82.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.805 -0.634 . . . . 1.0 109.77 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.39 -62.07 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.548 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.682 ' CG1' ' H ' ' B' ' 108' ' ' ALA . 7.5 p -50.09 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.351 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.682 ' H ' ' CG1' ' B' ' 107' ' ' VAL . . . -35.51 -30.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.472 ' O ' ' SG ' ' B' ' 113' ' ' CYS . 77.9 t -84.96 -76.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.862 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.27 -23.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.06 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 75.3 m -58.56 -52.89 63.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.986 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . 0.501 ' CD2' ' O ' ' B' ' 108' ' ' ALA . 4.6 m0 -76.37 -27.06 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.54 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 8.3 m -64.77 -59.11 4.6 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.553 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.07 -42.32 94.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.453 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 6.6 tp -66.01 -38.5 88.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.254 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . 0.433 ' N ' ' CD1' ' B' ' 117' ' ' TRP . 36.6 m0 -61.9 -22.73 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 1.0 110.374 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -79.95 -34.2 38.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.687 ' HD1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.97 63.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.87 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.687 ' N ' ' HD1' ' B' ' 119' ' ' HIS . 52.8 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.261 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.342 -0.244 . . . . 1.0 110.342 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 pt -65.41 -21.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 1.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -108.53 42.58 1.37 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.522 ' O ' ' NH2' ' C' ' 32' ' ' ARG . 29.8 tt0 -177.7 -90.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.881 0.372 . . . . 1.0 111.122 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.83 4.56 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.633 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.72 -33.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.736 0.303 . . . . 1.0 111.151 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.35 -49.94 6.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.088 0.47 . . . . 1.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -63.3 -24.49 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.05 -179.272 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' C' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.55 12.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.5 -25.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -91.4 -48.64 3.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.59 -34.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 122.809 -0.23 . . . . 1.0 111.026 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -63.26 -72.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 1.0 110.33 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 3.8 p -39.69 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.725 -0.671 . . . . 1.0 111.363 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.1 tp -90.5 -46.97 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' C' ' 37' ' ' ALA . 83.7 mt -68.95 -34.81 75.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.504 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.85 -61.37 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.528 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 34.4 m -47.84 -38.11 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.92 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 16.7 t -55.19 -43.57 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.76 -47.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 1.0 110.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.17 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.34 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' C' ' 48' ' ' LEU . 40.8 t -60.58 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.855 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -49.43 -17.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.178 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' C' ' 46' ' ' CYS . 0.8 OUTLIER 179.67 93.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.854 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.52 90.97 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -152.02 92.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.35 144.92 34.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.27 -76.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' C' ' 56' ' ' VAL . 21.4 tt -173.23 -36.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' THR . . . . . 0.412 ' C ' ' O ' ' C' ' 53' ' ' ILE . 60.3 m -34.68 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.814 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' C' ' 53' ' ' ILE . 1.6 tmt_? -79.47 -48.24 14.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.382 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' C' ' 53' ' ' ILE . 83.3 t -71.42 -37.72 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.133 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.74 -49.82 27.12 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.407 ' O ' ' CG2' ' C' ' 62' ' ' VAL . 2.6 mm? -47.06 -45.37 21.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.611 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.76 -49.51 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.368 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.5 -55.08 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 24.7 p -63.95 -58.32 7.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . 0.456 ' N ' ' OG ' ' C' ' 61' ' ' SER . 64.3 t -49.91 -29.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.574 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.54 -32.09 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.6 -47.77 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.023 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.18 -37.62 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.431 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.435 ' O ' ' N ' ' C' ' 70' ' ' ILE . 43.1 mtt -66.69 -33.21 75.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 tp -47.71 -39.94 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.131 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 p -89.94 -20.98 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.11 -62.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 121.079 -0.248 . . . . 1.0 111.376 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' C' ' 73' ' ' SER . 39.0 mt -64.51 -59.3 4.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.257 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.22 -43.34 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.296 -0.562 . . . . 1.0 110.076 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.421 ' OD1' ' OG ' ' B' ' 84' ' ' SER . 15.0 t30 -64.3 -10.35 23.48 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.222 0.534 . . . . 1.0 109.67 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.3 t -89.34 -52.6 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.378 -0.828 . . . . 1.0 108.854 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.06 71.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.113 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.79 -38.25 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.347 -0.842 . . . . 1.0 109.04 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' C' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.88 27.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.027 -0.269 . . . . 1.0 110.474 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.36 -53.45 58.17 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.46 -0.496 . . . . 1.0 109.899 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.6 -32.15 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.73 -24.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 m-20 -79.52 -106.44 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.13 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -103.98 -57.62 2.01 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.763 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.573 ' CG2' ' H ' ' C' ' 83' ' ' GLY . 2.0 tp 161.49 -63.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 124.03 0.831 . . . . 1.0 109.677 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.573 ' H ' ' CG2' ' C' ' 82' ' ' ILE . . . 58.95 -143.01 45.92 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 72' ' ' ASN . 23.6 p 47.16 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 1.0 110.935 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.53 1.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.034 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 62.9 t80 -83.75 -14.58 51.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' C' ' 88' ' ' GLU . 70.6 m-70 -55.29 -63.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.155 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 87' ' ' HIS . 34.1 tt0 46.85 104.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.695 0.283 . . . . 1.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' C' ' 91' ' ' GLY . 2.0 pp -177.9 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.08 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' SER . . . . . 0.433 ' O ' ' O ' ' C' ' 91' ' ' GLY . 17.1 m -72.44 28.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.332 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.32 169.29 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.75 -28.1 26.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.073 0.463 . . . . 1.0 110.142 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.14 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.654 . . . . 1.0 111.09 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -66.74 -29.2 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.67 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.09 -44.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 1.0 111.224 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 35.5 mmm -72.6 -45.22 60.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -65.27 -39.58 96.08 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.51 -0.636 . . . . 1.0 111.51 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.64 -31.48 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 1.0 111.07 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.19 -48.39 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -65.28 -21.03 66.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.496 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' C' ' 97' ' ' GLY . 6.3 t -64.17 -66.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.743 0.306 . . . . 1.0 110.255 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.6 -45.66 66.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.689 0.757 . . . . 1.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 106' ' ' ILE . 20.5 mt -70.57 -24.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -38.23 -49.42 1.37 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.97 0.414 . . . . 1.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 82.4 mt -66.35 -38.5 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.817 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' C' ' 103' ' ' ILE . 8.1 mt -75.52 -61.97 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.521 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.681 ' CG1' ' H ' ' C' ' 108' ' ' ALA . 7.5 p -50.22 -74.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.363 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.681 ' H ' ' CG1' ' C' ' 107' ' ' VAL . . . -35.41 -30.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.905 0.335 . . . . 1.0 111.905 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' C' ' 107' ' ' VAL . 79.8 t -84.79 -77.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.892 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.21 -23.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.072 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 76.3 m -58.52 -52.93 63.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.027 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . 0.498 ' CD2' ' O ' ' C' ' 108' ' ' ALA . 4.6 m0 -76.49 -26.89 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.483 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 8.5 m -64.87 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.48 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.17 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.413 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.71 -30.94 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 6.7 tp -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.214 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' C' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.79 65.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 1.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' SER . . . . . 0.41 ' HG ' ' C ' ' A' ' 50' ' ' VAL . 7.9 t -80.0 -34.27 38.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.535 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.677 ' HD1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.91 63.93 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.831 -179.27 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.677 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 52.8 t80 51.89 175.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.246 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.501 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.03 -1.428 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CD1' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.438 0 CA-C-O 120.973 0.416 . . . . 1.0 110.02 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -60.54 -16.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.372 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -106.66 43.37 1.16 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.463 179.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' H ' ' CG ' ' A' ' 28' ' ' GLU . . . -60.03 2.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.504 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -40.63 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -89.22 -45.91 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.21 0.528 . . . . 1.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.518 -0.764 . . . . 1.0 109.673 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 36.8 tp60 -59.93 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.508 -0.769 . . . . 1.0 109.96 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.0 -22.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.678 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.63 -55.35 1.55 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.868 -0.606 . . . . 1.0 112.216 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.59 -34.46 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 122.343 -0.504 . . . . 1.0 110.666 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -59.65 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.219 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -39.05 -18.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.27 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tt -87.87 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ALA . 4.0 mm? -66.21 -36.64 83.6 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.25 64.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.012 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 44.1 t -89.52 -37.53 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.81 -47.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.521 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -73.23 -47.23 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.478 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -60.52 -39.38 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.604 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.45 -51.41 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.194 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.76 -54.08 50.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.202 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 10.4 mp -82.84 -170.69 3.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.016 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.2 p-10 -71.53 -122.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.496 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 11.3 p -158.31 149.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.406 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.25 177.04 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 -139.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.726 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -97.73 -28.69 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.381 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.5 p -38.0 -40.24 0.46 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.854 0.359 . . . . 1.0 111.134 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.06 -40.58 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.061 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ILE . 46.7 t -61.69 -37.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.492 ' CD1' ' HG ' ' A' ' 61' ' ' SER . 0.4 OUTLIER -48.0 -53.05 17.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -49.86 -52.12 35.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 63' ' ' MET . 14.5 mm -61.67 -25.75 37.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.202 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -76.22 -52.25 10.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.282 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.492 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 44.3 m -64.13 -59.57 4.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.999 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.56 -35.54 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.705 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.2 mmt -58.52 -39.24 79.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.19 -37.98 84.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -68.41 -37.05 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.8 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.99 39.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.248 -0.433 . . . . 1.0 112.017 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.7 -23.9 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.083 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 66' ' ' MET . 86.8 t -90.84 -33.23 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 1.0 110.443 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' MET . 28.1 tp10 -94.76 -51.9 4.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.071 -178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 8.9 tt -67.55 -53.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 70' ' ' ILE . 2.2 tp -54.17 -35.59 62.45 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.124 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.404 ' O ' ' OE1' ' C' ' 88' ' ' GLU . 55.3 t30 -72.76 -12.67 61.1 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.235 0.541 . . . . 1.0 109.763 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -91.5 -52.16 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.411 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.66 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -52.84 -40.0 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.699 -0.8 . . . . 1.0 109.587 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 80' ' ' ASP . 21.1 tt0 -82.39 -23.92 34.7 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.33 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.0 -51.58 69.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.8 t -52.88 -32.7 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.18 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.62 -24.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.111 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 63.0 m-20 -78.1 -102.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 60.5 ttt-85 -100.78 -10.0 21.2 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.8 tt 34.93 98.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.919 0.39 . . . . 1.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -128.77 -178.86 15.58 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 21.1 p 58.35 38.33 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 110.468 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.14 -71.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.655 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.429 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 72.7 m-85 -51.51 -16.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.54 -10.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' B' ' 72' ' ' ASN . 87.7 mt-10 -125.15 87.63 2.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.695 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 91' ' ' GLY . 19.3 mt -101.7 -23.18 14.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.359 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -74.17 36.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.99 167.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -22.49 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.55 -50.28 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.8 -29.27 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.12 -40.24 2.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.852 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 96' ' ' MET . 2.2 mpp? -70.56 -43.72 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.54 93.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.14 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.717 0.294 . . . . 1.0 110.836 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.17 -50.28 4.89 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.34 -26.11 38.82 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.76 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 25.1 t -69.39 -59.2 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.1 mt -50.42 -44.19 55.1 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.007 -0.677 . . . . 1.0 110.589 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 9.7 pt -78.55 -26.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 1.0 111.315 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . . . -36.79 -48.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.956 0.408 . . . . 1.0 110.852 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.39 -38.51 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.985 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.9 mt -75.14 -61.44 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.505 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.677 ' CG1' ' H ' ' A' ' 108' ' ' ALA . 13.5 p -47.6 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 121.083 -0.247 . . . . 1.0 111.04 -178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.677 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . -39.55 -26.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.84 0.291 . . . . 1.0 111.422 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' VAL . 99.4 t -92.84 -81.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.19 -37.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.289 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 14.4 m -59.15 -49.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.884 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.8 -31.22 69.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.135 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.73 -58.81 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.262 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 1.2 mp -67.43 -39.89 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.4 tp -55.69 -31.03 62.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 0.9 OUTLIER -67.67 -30.91 70.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.917 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -56.99 -20.65 25.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 120' ' ' PHE . 8.2 t -59.84 -29.98 68.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.287 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -63.35 -0.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.728 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 118' ' ' SER . 70.5 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . 0.427 ' CD1' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.997 0.427 . . . . 1.0 110.055 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.63 -16.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.7 43.42 1.16 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.379 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 30' ' ' ALA . 0.4 OUTLIER 171.36 -93.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.527 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.464 ' H ' ' CG ' ' B' ' 28' ' ' GLU . . . -60.08 2.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.527 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -40.5 -29.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.891 0.377 . . . . 1.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -89.24 -45.91 9.18 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 110.167 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -65.84 -22.47 66.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.711 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.427 ' OE1' ' CD1' ' B' ' 25' ' ' TRP . 36.8 tp60 -59.99 -62.08 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.921 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.06 -22.43 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.349 -0.54 . . . . 1.0 110.606 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.59 -55.25 1.57 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.29 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.74 -34.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 122.368 -0.489 . . . . 1.0 110.543 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -59.6 -64.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.229 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 0.3 OUTLIER -38.98 -18.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.272 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.2 tt -87.72 -54.44 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 178.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' ALA . 4.0 mm? -65.95 -36.8 84.34 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.445 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.22 65.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 44.2 t -89.49 -37.57 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.84 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.7 -48.04 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.476 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -73.17 -47.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.495 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -60.53 -39.43 87.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.579 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 39.2 t -64.38 -51.45 63.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.259 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.71 -54.03 50.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.258 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' B' ' 48' ' ' LEU . 10.4 mp -82.96 -170.65 3.13 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.3 p-10 -71.56 -122.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.464 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 11.3 p -158.27 149.2 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.374 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.29 177.07 7.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -97.8 -28.46 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.398 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.4 p -38.23 -40.18 0.49 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.819 0.342 . . . . 1.0 111.091 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.05 -40.51 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.11 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' B' ' 53' ' ' ILE . 46.6 t -61.77 -37.1 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.654 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -53.01 18.19 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -49.85 -52.05 35.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.984 -0.746 . . . . 1.0 108.984 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' B' ' 63' ' ' MET . 14.6 mm -61.76 -25.7 37.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.17 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.26 -52.19 10.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.291 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 44.1 m -64.17 -59.62 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.963 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.49 -35.59 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' B' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.21 79.4 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.3 -37.84 84.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -37.1 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.801 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.513 ' O ' ' N ' ' B' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.96 39.88 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.274 -0.421 . . . . 1.0 112.035 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.72 -23.85 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 119.868 -0.733 . . . . 1.0 110.154 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 66' ' ' MET . 87.5 t -90.83 -33.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 1.0 110.38 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 66' ' ' MET . 28.1 tp10 -94.65 -51.81 4.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 112.17 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 8.9 tt -67.57 -53.29 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.432 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' B' ' 70' ' ' ILE . 2.2 tp -54.18 -35.63 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.142 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' A' ' 88' ' ' GLU . 55.2 t30 -72.73 -12.58 61.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.244 0.545 . . . . 1.0 109.752 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.469 ' O ' ' N ' ' B' ' 77' ' ' ALA . 0.3 OUTLIER -91.56 -52.2 4.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.362 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.66 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.324 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -52.77 -40.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 119.782 -0.767 . . . . 1.0 109.643 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 21.2 tt0 -82.41 -23.92 34.64 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.03 -51.49 69.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.449 -0.575 . . . . 1.0 109.449 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.95 -32.62 18.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.278 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 41.4 t -85.67 -24.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 62.6 m-20 -78.04 -102.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.139 0.422 . . . . 1.0 112.139 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 82' ' ' ILE . 60.4 ttt-85 -100.71 -10.04 21.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.933 0.346 . . . . 1.0 111.933 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.94 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 121.017 0.437 . . . . 1.0 111.3 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.412 ' O ' ' OG ' ' B' ' 84' ' ' SER . . . -128.68 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' B' ' 83' ' ' GLY . 21.2 p 58.11 38.5 26.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 1.0 110.506 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.21 -71.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' B' ' 89' ' ' LEU . 72.8 m-85 -51.4 -16.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -56.62 -10.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 72' ' ' ASN . 87.8 mt-10 -125.09 87.61 2.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 91' ' ' GLY . 19.1 mt -101.75 -23.13 14.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.364 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.19 36.94 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.97 167.74 0.08 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.681 -0.967 . . . . 1.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -22.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.41 71.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.74 -29.26 69.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.2 -40.16 2.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.886 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' B' ' 96' ' ' MET . 2.2 mpp? -70.59 -43.72 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.12 -36.53 93.58 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.1 8.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.615 0.245 . . . . 1.0 110.785 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.27 -50.29 4.85 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.37 -26.05 38.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.738 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.48 -59.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.45 -44.17 55.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.065 -0.654 . . . . 1.0 110.567 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 106' ' ' ILE . 9.8 pt -78.55 -26.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.253 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.69 -48.76 0.73 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.927 0.394 . . . . 1.0 110.859 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.41 -38.47 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.995 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.11 -61.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.446 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.671 ' CG1' ' H ' ' B' ' 108' ' ' ALA . 13.4 p -47.54 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 121.169 -0.212 . . . . 1.0 111.046 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . 0.671 ' H ' ' CG1' ' B' ' 107' ' ' VAL . . . -39.48 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.815 0.279 . . . . 1.0 111.476 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 107' ' ' VAL . 99.4 t -92.89 -81.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.912 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.16 -37.26 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.235 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 14.4 m -59.09 -49.86 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.815 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.026 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 74.5 m -65.74 -58.71 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.2 mp -67.42 -39.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.766 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.61 -31.05 61.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . 0.525 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 0.9 OUTLIER -67.7 -30.95 70.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.857 179.398 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.96 -20.63 24.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.106 0.479 . . . . 1.0 110.296 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' SER . . . . . 0.469 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.2 t -59.81 -30.02 68.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.279 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 116' ' ' LEU . 0.4 OUTLIER -63.23 -0.63 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.81 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' B' ' 118' ' ' SER . 70.7 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.584 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' OE1' ' C' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.893 0.378 . . . . 1.0 110.01 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.54 -16.62 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.66 43.35 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.347 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' C' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.55 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.478 ' H ' ' CG ' ' C' ' 28' ' ' GLU . . . -60.15 2.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.508 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -40.63 -28.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 1.0 111.179 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -89.25 -45.95 9.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.154 0.502 . . . . 1.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.88 -22.38 66.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.683 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' C' ' 25' ' ' TRP . 36.8 tp60 -60.03 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.949 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.03 -22.42 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.606 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.61 -55.29 1.56 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.961 -0.563 . . . . 1.0 112.303 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.6 -34.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 117.144 0.472 . . . . 1.0 110.576 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -59.55 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.258 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 0.3 OUTLIER -39.04 -18.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.277 -178.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.2 tt -87.86 -54.18 4.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' C' ' 37' ' ' ALA . 4.0 mm? -66.17 -36.7 83.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.486 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.17 -24.1 64.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.996 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 43.9 t -89.59 -37.54 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.765 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.84 -47.82 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.537 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -73.29 -47.16 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . 0.482 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -60.43 -39.47 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.628 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.42 -51.41 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.83 -53.96 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' C' ' 48' ' ' LEU . 10.4 mp -82.98 -170.7 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.972 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.3 p-10 -71.5 -122.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.505 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' VAL . . . . . 0.461 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 11.3 p -158.27 149.13 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.366 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 177.17 7.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.61 -139.49 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.0 OUTLIER -97.82 -28.63 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.321 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 36.6 p -37.98 -40.38 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 1.0 111.1 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -78.98 -40.58 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.088 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' C' ' 53' ' ' ILE . 46.9 t -61.79 -37.08 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.61 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -53.02 17.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -49.92 -52.12 35.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' C' ' 63' ' ' MET . 14.5 mm -61.64 -25.66 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.301 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.3 -52.13 10.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 -59.62 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.956 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.58 -35.54 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.676 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' C' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.16 79.25 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.979 -0.378 . . . . 1.0 109.979 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.38 -37.88 83.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.03 -0.73 . . . . 1.0 109.03 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.45 -37.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.76 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' MET . . . . . 0.517 ' O ' ' N ' ' C' ' 69' ' ' GLU . 7.3 mmt -66.45 -53.08 39.52 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.069 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 pt -44.62 -23.93 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 119.96 -0.696 . . . . 1.0 110.16 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' C' ' 66' ' ' MET . 87.4 t -90.79 -33.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 1.0 110.392 178.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' C' ' 66' ' ' MET . 28.2 tp10 -94.72 -51.83 4.54 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.165 -0.471 . . . . 1.0 112.102 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' C' ' 71' ' ' LEU . 8.8 tt -67.54 -53.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.559 -0.456 . . . . 1.0 110.427 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' C' ' 70' ' ' ILE . 2.2 tp -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.048 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' ASN . . . . . 0.412 ' O ' ' OE1' ' B' ' 88' ' ' GLU . 55.1 t30 -72.72 -12.57 61.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.201 0.524 . . . . 1.0 109.752 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' SER . . . . . 0.466 ' O ' ' N ' ' C' ' 77' ' ' ALA . 0.3 OUTLIER -91.53 -52.13 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.37 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.01 -51.68 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.286 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.73 -40.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.738 -0.785 . . . . 1.0 109.658 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' C' ' 80' ' ' ASP . 21.2 tt0 -82.37 -23.95 34.72 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.333 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.02 -51.55 69.22 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -52.92 -32.6 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.82 -24.17 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.579 -0.737 . . . . 1.0 111.012 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.0 m-20 -78.16 -102.87 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' C' ' 82' ' ' ILE . 60.4 ttt-85 -100.74 -10.01 21.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.916 0.339 . . . . 1.0 111.916 -178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 35.01 97.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.95 0.405 . . . . 1.0 111.378 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' OG ' ' C' ' 84' ' ' SER . . . -128.71 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' C' ' 83' ' ' GLY . 21.0 p 58.22 38.47 26.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 1.0 110.49 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.3 -71.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' C' ' 89' ' ' LEU . 72.9 m-85 -51.37 -16.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.539 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.65 -10.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 72' ' ' ASN . 87.9 mt-10 -125.08 87.62 2.74 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.858 0.361 . . . . 1.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' C' ' 91' ' ' GLY . 19.1 mt -101.75 -23.1 14.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.37 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.32 36.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 57.04 167.68 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -22.51 26.77 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.43 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.399 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -66.81 -29.31 69.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -42.11 -40.22 2.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.854 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' C' ' 96' ' ' MET . 2.1 mpp? -70.59 -43.76 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.03 -36.6 93.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 43.7 t -48.44 -33.1 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.754 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.3 -50.19 4.89 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.43 -26.06 39.73 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.741 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.38 -59.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 32.3 mt -50.3 -44.26 53.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.569 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' C' ' 106' ' ' ILE . 9.8 pt -78.5 -26.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.301 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -36.75 -48.73 0.74 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.857 0.36 . . . . 1.0 110.873 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.28 -38.56 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.992 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' C' ' 103' ' ' ILE . 7.9 mt -75.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.497 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.674 ' CG1' ' H ' ' C' ' 108' ' ' ALA . 13.4 p -47.62 -71.92 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.72 -0.218 . . . . 1.0 111.036 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' ALA . . . . . 0.674 ' H ' ' CG1' ' C' ' 107' ' ' VAL . . . -39.56 -26.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.831 0.287 . . . . 1.0 111.492 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' C' ' 107' ' ' VAL . 99.5 t -92.92 -81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.94 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.09 -37.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.307 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 14.2 m -59.08 -49.85 76.31 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.892 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.71 -31.34 69.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.097 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.75 -58.76 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.248 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . 0.527 ' N ' ' CD1' ' C' ' 114' ' ' ILE . 1.2 mp -67.41 -39.98 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.741 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 36.2 tp -55.6 -31.12 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 0.9 OUTLIER -67.61 -31.01 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 1.0 109.921 179.386 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.85 -20.68 24.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.232 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' SER . . . . . 0.473 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.3 t -59.87 -29.95 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.279 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' C' ' 116' ' ' LEU . 0.4 OUTLIER -63.3 -0.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.8 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' C' ' 118' ' ' SER . 70.1 t80 -81.95 -93.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' GLY . . . . . 0.4 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' THR . 7.4 m-20 -67.84 107.64 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.574 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.43 -4.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.534 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' ASN . 17.7 m 50.93 77.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.577 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.0 p -78.18 -31.67 49.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.52 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.25 13.31 0.02 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 1.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.525 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' ALA . 57.7 mtp85 -59.47 -38.73 81.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.41 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.0 mt -63.54 -46.98 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.306 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.5 mt -65.49 -49.09 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.137 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -65.96 -35.11 79.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.4 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . -61.33 -40.35 93.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.495 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.19 -14.38 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.633 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.86 -16.53 54.35 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' ALA . 34.2 m-85 41.65 40.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 1.0 110.712 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -53.11 -27.71 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -50.29 -37.56 36.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -59.87 -36.78 77.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.606 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.57 -35.54 81.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 3.3 mm? -73.11 -32.35 64.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -65.41 -46.96 77.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.86 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.34 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.693 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -47.27 -60.14 2.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.087 0.47 . . . . 1.0 110.201 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 36.5 t-20 -107.79 43.31 1.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.915 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 18.2 tt0 164.59 -70.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.474 0.484 . . . . 1.0 110.229 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.0 2.51 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.426 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.64 -30.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.816 0.341 . . . . 1.0 111.44 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.49 -48.64 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 1.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.73 66.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.146 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 33' ' ' GLN . 1.5 tm0? -59.38 -59.5 5.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.529 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -47.72 -22.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.07 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.74 -53.49 1.53 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.68 -0.568 . . . . 1.0 111.68 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.3 -45.17 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.605 0.24 . . . . 1.0 110.601 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.62 -60.1 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 96.5 t -38.44 -19.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.3 tp -87.24 -52.77 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.45 -0.945 . . . . 1.0 108.45 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ALA . 13.9 mt -66.98 -36.13 81.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.819 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.2 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.418 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 22.8 t -83.11 -38.01 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.905 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.0 t -51.84 -48.08 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.468 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.49 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.779 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.53 -43.59 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 1.0 110.373 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.84 -48.69 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.74 -45.93 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.043 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 tp -173.36 132.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -157.61 108.42 2.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -154.91 51.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 114' ' ' ILE . 6.2 m-20 -84.29 -172.2 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' C' ' 53' ' ' ILE . . . -82.98 2.92 32.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' B' ' 52' ' ' ALA . 3.8 mt 69.51 -2.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.164 0.507 . . . . 1.0 110.41 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 52' ' ' ALA . 9.0 m -43.69 -37.94 2.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' ' OG1' ' C' ' 111' ' ' THR . 37.6 ttt180 -48.12 -39.28 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 1.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.44 -43.77 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.661 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.55 -55.71 12.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.496 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.34 -43.07 64.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' MET . 96.6 mt -67.66 -54.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.749 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.7 -43.9 47.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.089 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.4 m -64.06 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 1.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.23 -28.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ILE . 39.7 ttp -58.75 -30.19 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.02 -41.35 96.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.11 -39.06 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.264 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 34.7 mtt -54.32 -49.91 68.58 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.519 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.02 -22.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.11 -0.636 . . . . 1.0 109.678 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 5.7 t -91.32 -27.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.756 0.312 . . . . 1.0 110.601 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' O ' ' OG ' ' A' ' 73' ' ' SER . 56.7 mt-10 -97.28 -55.54 2.81 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.025 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' SER . 15.5 mt -63.97 -59.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.87 -36.81 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.903 -0.719 . . . . 1.0 109.608 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 9.8 m-20 -69.62 -10.92 60.18 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 m -90.56 -51.62 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.35 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.0 -51.43 68.08 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 76' ' ' GLU . 15.3 tt -49.74 -45.88 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.554 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 80' ' ' ASP . 65.8 tt0 -80.72 -22.86 39.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.973 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.14 -53.93 52.71 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.452 -0.499 . . . . 1.0 110.3 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.97 -32.63 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 1.0 109.433 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.82 -24.06 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.783 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 t0 -78.17 -103.55 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 85.1 mtt-85 -98.43 -10.51 23.55 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.6 tt 34.23 98.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.14 0.495 . . . . 1.0 111.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.09 56.83 0.5 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.731 -0.948 . . . . 1.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p -54.73 170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.0 110.674 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.5 161.44 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.17 -19.13 34.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.53 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.62 -26.06 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.062 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -44.6 121.99 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 1.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER 177.64 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.97 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.1 p -70.52 39.74 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.45 169.06 0.06 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.599 -1.0 . . . . 1.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.0 25.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.235 0.54 . . . . 1.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.34 63.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.6 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.62 -27.56 67.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.733 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.474 ' CG ' ' HG ' ' B' ' 73' ' ' SER . 10.2 t0 -44.73 -37.8 3.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.923 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -71.89 -45.67 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.968 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.05 -36.7 93.33 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.64 -32.6 8.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.775 0.322 . . . . 1.0 111.047 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.08 -46.63 10.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -56.88 -20.68 24.43 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.884 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.2 t -66.7 -58.28 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.32 -49.99 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.452 -0.499 . . . . 1.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 35.1 pt -79.13 -25.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . -40.85 -44.54 2.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.007 0.432 . . . . 1.0 109.918 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.09 -38.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.536 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 17.7 mt -74.92 -63.76 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.945 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 109' ' ' VAL . 0.8 OUTLIER -48.71 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.951 -178.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.489 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.54 -32.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.952 0.406 . . . . 1.0 111.392 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.9 t -89.27 -75.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.6 mm -50.23 -33.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.525 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.468 ' OG1' ' NH2' ' B' ' 55' ' ' ARG . 3.5 t -58.95 -44.13 91.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.442 ' N ' ' CG2' ' A' ' 111' ' ' THR . 47.3 t90 -76.34 -29.11 57.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.31 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.32 -58.38 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.921 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.421 ' O ' ' OD1' ' B' ' 51' ' ' ASP . 2.3 pp -62.7 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.891 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 tp -57.55 -37.29 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.56 -41.57 96.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.743 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.04 -20.4 16.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.154 0.502 . . . . 1.0 109.743 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 m -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.02 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -62.85 -37.62 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -160.33 141.58 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.53 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.006 -1.441 . . . . 1.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' B' ' 4' ' ' THR . 7.4 m-20 -67.77 107.55 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.602 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -62.32 -4.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.446 ' CG2' ' HG1' ' B' ' 8' ' ' THR . 17.5 m 50.93 77.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.54 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 65.9 p -78.29 -31.57 48.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.2 13.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.18 -29.05 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.446 ' HG1' ' CG2' ' B' ' 4' ' ' THR . 8.1 m -65.03 -40.34 94.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.563 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 57.8 mtp85 -59.63 -38.69 82.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.57 -46.96 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.43 -49.25 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.093 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -65.86 -35.11 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.387 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.521 ' O ' ' CE1' ' B' ' 16' ' ' TYR . . . -61.36 -40.36 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.21 -14.36 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.8 -16.49 54.55 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.23 -0.748 . . . . 1.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' B' ' 13' ' ' ALA . 34.2 m-85 41.49 40.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.418 . . . . 1.0 110.755 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -53.12 -28.57 26.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.596 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -49.82 -37.46 30.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.673 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -59.84 -36.83 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.623 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.52 80.64 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' B' ' 21' ' ' LEU . 3.3 mm? -73.14 -32.27 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 1.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -65.49 -46.92 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.627 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.85 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.587 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.4 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -47.3 -60.12 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.456 . . . . 1.0 110.15 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.83 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 36.4 t-20 -107.83 43.33 1.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.923 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 18.1 tt0 164.52 -70.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.526 0.516 . . . . 1.0 110.298 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' B' ' 33' ' ' GLN . . . -77.05 2.65 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.389 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.75 -30.33 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.777 0.323 . . . . 1.0 111.448 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.51 -48.62 7.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.199 0.524 . . . . 1.0 110.793 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.79 66.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.443 ' C ' ' NE2' ' B' ' 33' ' ' GLN . 1.5 tm0? -59.32 -59.57 5.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.512 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -47.72 -22.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.086 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.81 -53.44 1.53 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.671 -0.572 . . . . 1.0 111.671 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.33 -45.11 18.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.557 0.217 . . . . 1.0 110.634 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.62 -60.16 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 95.8 t -38.35 -19.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.388 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.6 tp -87.28 -52.71 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 37' ' ' ALA . 13.9 mt -66.97 -36.15 81.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.17 62.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.397 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 22.6 t -83.17 -37.98 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.81 -48.16 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.399 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.422 HD11 HG21 ' B' ' 44' ' ' ILE . 61.8 mt -74.53 -46.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.765 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.73 55.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.336 . . . . 1.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 69.0 m -57.83 -48.68 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.63 -46.12 39.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.976 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 53.1 tp -173.25 132.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.258 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -157.39 108.4 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -154.96 51.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 114' ' ' ILE . 6.1 m-20 -84.41 -172.29 4.09 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' ILE . . . -82.86 2.9 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' C' ' 52' ' ' ALA . 3.8 mt 69.46 -2.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.203 0.525 . . . . 1.0 110.417 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 52' ' ' ALA . 9.2 m -43.83 -37.87 3.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.468 ' NH2' ' OG1' ' A' ' 111' ' ' THR . 37.3 ttt180 -48.17 -39.18 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 1.0 110.608 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.47 -43.84 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.692 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -49.56 -55.68 12.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.214 -0.594 . . . . 1.0 110.452 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.36 -43.05 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.934 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 63' ' ' MET . 96.6 mt -67.7 -54.9 19.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.735 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' B' ' 61' ' ' SER . 83.9 p -49.8 -43.82 48.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.123 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.544 ' N ' ' HG ' ' B' ' 60' ' ' SER . 74.6 m -64.05 -63.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 1.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.26 -28.25 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.476 ' N ' ' O ' ' B' ' 59' ' ' ILE . 39.8 ttp -58.63 -30.25 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.11 -41.32 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.704 -0.851 . . . . 1.0 108.704 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.17 -38.97 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.261 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.7 mtt -54.33 -49.89 68.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.571 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -22.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.657 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 5.6 t -91.27 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.592 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.442 ' O ' ' OG ' ' B' ' 73' ' ' SER . 56.6 mt-10 -97.16 -55.7 2.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.53 -0.304 . . . . 1.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 15.3 mt -63.88 -59.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.076 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.85 -36.78 49.56 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.633 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 9.9 m-20 -69.56 -10.97 60.37 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.4 m -90.57 -51.64 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.242 -0.89 . . . . 1.0 109.36 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -51.57 67.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.821 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 15.2 tt -49.6 -45.99 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.512 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 80' ' ' ASP . 65.4 tt0 -80.64 -22.9 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.977 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.14 -53.99 51.98 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.189 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.92 -32.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.473 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -85.73 -24.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.834 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.9 t0 -78.21 -103.58 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.16 0.429 . . . . 1.0 112.16 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 82' ' ' ILE . 85.0 mtt-85 -98.4 -10.54 23.58 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.819 0.303 . . . . 1.0 111.819 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.6 tt 34.31 98.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 121.061 0.458 . . . . 1.0 111.601 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.11 56.82 0.5 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.58 170.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.321 . . . . 1.0 110.74 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.42 161.42 14.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.23 -19.0 34.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.507 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.75 -26.01 56.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.035 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.45 121.96 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.682 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER 177.6 -44.02 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.992 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.9 p -70.53 39.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 55.39 169.1 0.06 OUTLIER Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.588 -1.005 . . . . 1.0 110.588 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -87.33 -21.99 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.096 0.474 . . . . 1.0 109.773 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -51.46 63.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.647 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.52 -27.54 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.79 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.81 -37.76 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.885 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.5 ' O ' ' SD ' ' B' ' 96' ' ' MET . 0.1 OUTLIER -71.98 -45.56 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.581 -0.448 . . . . 1.0 109.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.73 93.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -48.56 -32.63 8.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.729 0.3 . . . . 1.0 111.031 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.17 -46.61 10.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -56.84 -20.68 24.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.934 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 20.4 t -66.69 -58.32 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.31 -50.01 65.84 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.45 -0.5 . . . . 1.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' B' ' 106' ' ' ILE . 35.2 pt -79.07 -25.92 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -40.89 -44.56 2.33 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 67.9 mt -69.07 -38.46 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.504 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' B' ' 103' ' ' ILE . 17.6 mt -74.92 -63.9 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 109' ' ' VAL . 0.8 OUTLIER -48.71 -70.2 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.911 -178.095 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.483 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.44 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.946 0.403 . . . . 1.0 111.363 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.4 t -89.24 -75.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.771 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 mm -50.18 -33.82 10.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.574 -0.285 . . . . 1.0 111.56 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.468 ' OG1' ' CZ ' ' C' ' 55' ' ' ARG . 3.5 t -59.11 -44.0 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.475 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . 0.441 ' N ' ' CG2' ' B' ' 111' ' ' THR . 47.1 t90 -76.3 -29.14 57.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.312 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.31 -58.28 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.024 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.424 ' O ' ' OD1' ' C' ' 51' ' ' ASP . 2.3 pp -62.82 -42.58 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.933 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 14.5 tp -57.67 -37.06 72.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.79 -41.45 95.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.78 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -56.13 -20.4 17.39 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 8.8 m -57.61 -29.32 64.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.027 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.84 -37.7 87.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.29 141.52 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 117.954 -1.47 . . . . 1.0 110.971 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' C' ' 4' ' ' THR . 7.6 m-20 -67.87 107.7 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -62.39 -4.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.434 ' H ' ' C ' ' C' ' 2' ' ' ASN . 17.8 m 50.93 77.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.4 p -78.13 -31.72 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.24 13.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -65.24 -28.9 69.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 1.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.19 -40.28 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 57.7 mtp85 -59.6 -38.73 82.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.383 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.48 -46.94 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.383 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.5 -49.14 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.157 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.9 -35.18 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.329 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -61.31 -40.35 93.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -14.37 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.676 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.93 -16.34 54.58 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 34.4 m-85 41.45 40.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 1.0 110.696 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -53.2 -27.69 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.713 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -50.28 -37.6 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.579 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -59.76 -36.85 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -35.42 80.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.071 -0.811 . . . . 1.0 111.071 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' C' ' 21' ' ' LEU . 3.3 mm? -73.17 -32.33 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 1.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -65.47 -46.92 77.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.83 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -30.39 29.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -47.33 -60.08 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 1.0 110.152 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.66 -13.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' C' ' 27' ' ' ASN . 36.4 t-20 -107.75 43.27 1.22 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.847 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' C' ' 27' ' ' ASN . 18.4 tt0 164.56 -70.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.443 0.465 . . . . 1.0 110.248 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 2.6 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.458 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.79 -30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.811 0.338 . . . . 1.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.62 -48.62 7.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.471 . . . . 1.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.74 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 1.0 110.12 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' C ' ' C' ' 33' ' ' GLN . 1.5 tm0? -59.45 -59.5 5.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.454 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -47.76 -22.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.042 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.8 -53.43 1.53 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.719 -0.552 . . . . 1.0 111.719 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.4 -45.08 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.491 0.186 . . . . 1.0 110.588 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.6 -60.09 4.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 95.2 t -38.51 -19.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.426 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.2 tp -87.23 -52.68 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.498 -0.927 . . . . 1.0 108.498 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' C' ' 37' ' ' ALA . 13.9 mt -67.06 -36.15 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.175 -0.92 . . . . 1.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.55 -24.11 62.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.421 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 22.8 t -83.19 -38.05 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.903 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.68 -48.18 37.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.432 HD11 HG21 ' C' ' 44' ' ' ILE . 62.3 mt -74.52 -46.06 43.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.728 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.61 55.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.411 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -48.8 -45.94 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.039 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 52.8 tp -173.3 132.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.335 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -157.54 108.47 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.425 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.94 51.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.788 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 114' ' ' ILE . 6.1 m-20 -84.29 -172.27 4.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' B' ' 53' ' ' ILE . . . -82.88 2.87 32.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.58 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.8 mt 69.49 -2.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.501 . . . . 1.0 110.374 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' THR . . . . . 0.409 ' H ' ' C ' ' C' ' 52' ' ' ALA . 8.9 m -43.66 -37.99 2.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.06 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.468 ' CZ ' ' OG1' ' B' ' 111' ' ' THR . 37.2 ttt180 -48.12 -39.32 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.01 0.433 . . . . 1.0 110.583 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.29 -43.91 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 1.0 111.655 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 tt -49.62 -55.66 12.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.466 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.33 -43.04 64.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' C' ' 63' ' ' MET . 96.6 mt -67.76 -54.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.79 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.69 -43.91 47.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.156 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 74.3 m -64.05 -63.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.344 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.11 -28.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.627 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.444 ' N ' ' O ' ' C' ' 59' ' ' ILE . 39.8 ttp -58.68 -30.24 67.22 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.11 -41.34 96.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -67.11 -38.98 82.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.249 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.471 ' O ' ' N ' ' C' ' 70' ' ' ILE . 34.7 mtt -54.47 -49.83 69.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.511 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 -22.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.073 -0.651 . . . . 1.0 109.689 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 5.6 t -91.3 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.736 0.303 . . . . 1.0 110.639 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' C' ' 73' ' ' SER . 56.6 mt-10 -97.17 -55.63 2.79 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.029 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' C' ' 73' ' ' SER . 15.5 mt -63.96 -59.3 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.04 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.82 -36.76 49.14 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.645 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 9.8 m-20 -69.68 -10.88 60.02 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.53 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.4 m -90.49 -51.71 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.415 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.56 67.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.834 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' C' ' 76' ' ' GLU . 15.2 tt -49.63 -46.0 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.512 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 80' ' ' ASP . 65.9 tt0 -80.61 -22.89 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.17 -53.95 52.47 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.259 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.96 -32.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.71 -24.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.711 . . . . 1.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 t0 -78.1 -103.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 82' ' ' ILE . 85.2 mtt-85 -98.47 -10.57 23.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.6 tt 34.43 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.086 0.47 . . . . 1.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.0 56.85 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.72 170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 1.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.41 161.4 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.672 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.21 -19.12 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.484 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.7 -26.05 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.56 122.04 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 1.0 110.645 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.8 OUTLIER 177.58 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.033 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 22.2 p -70.49 39.64 0.05 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.46 169.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.01 25.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 1.0 109.792 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.43 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.688 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -66.49 -27.67 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.675 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.73 -37.83 4.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' C' ' 96' ' ' MET . 0.1 OUTLIER -71.9 -45.53 60.93 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.028 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.78 93.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.49 -32.69 8.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 111.108 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.12 -46.59 10.3 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.144 -0.688 . . . . 1.0 109.144 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -56.95 -20.66 24.82 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.859 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.76 -58.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.46 -49.85 66.55 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.149 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' C' ' 106' ' ' ILE . 35.4 pt -79.02 -25.93 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' C' ' 100' ' ' ALA . . . -40.96 -44.53 2.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -38.56 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.893 -0.594 . . . . 1.0 109.521 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' C' ' 103' ' ' ILE . 17.8 mt -74.92 -63.81 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.864 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 0.8 OUTLIER -48.9 -70.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.944 -178.048 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.489 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.42 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.927 0.394 . . . . 1.0 111.326 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 44.0 t -89.26 -75.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.811 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 20.8 mm -50.34 -33.74 10.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.595 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.47 ' OG1' ' NH2' ' A' ' 55' ' ' ARG . 3.5 t -58.99 -44.13 91.58 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.464 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . 0.451 ' N ' ' CG2' ' C' ' 111' ' ' THR . 46.8 t90 -76.33 -29.12 57.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.29 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 13.2 t -65.34 -58.33 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 2.3 pp -62.73 -42.68 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.86 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 tp -57.68 -37.03 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.88 -41.39 95.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.738 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.19 -20.39 17.79 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 8.4 m -57.57 -29.36 64.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.012 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.71 -37.86 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.671 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.26 141.63 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.497 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 118.019 -1.434 . . . . 1.0 110.932 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 1.9 t-20 -73.49 6.0 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.63 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.2 132.49 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.28 -59.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -161.73 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.589 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.48 -42.43 13.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -75.22 -28.51 59.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 1.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -69.45 -36.56 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 73.8 ttt180 -59.18 -42.69 91.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.429 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.99 -49.11 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.97 -49.12 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.042 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.76 -36.8 84.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.44 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' O ' ' CD2' ' A' ' 16' ' ' TYR . . . -61.53 -34.14 75.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -80.33 -14.35 58.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -40.3 -34.16 0.6 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -75.58 19.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 1.0 110.451 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 15' ' ' GLY . 39.8 m -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.646 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -54.17 -41.17 68.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -62.04 -37.15 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.04 -31.51 18.36 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 1.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -65.44 -48.93 71.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.24 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -31.65 69.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.506 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.652 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.2 -61.99 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.456 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.4 mm-40 -126.83 -48.38 1.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.657 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -57.79 -2.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -39.15 -22.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.259 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 29.6 p90 -84.73 -42.75 14.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 1.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 68.1 ttt180 -62.42 -33.07 74.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.65 -64.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 1.0 109.234 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -44.54 -35.18 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.518 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.55 -58.44 8.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.4 t -49.13 -35.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.502 -0.349 . . . . 1.0 110.108 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -7.26 15.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.749 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.59 -24.09 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.331 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.95 -62.56 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.752 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -42.37 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.51 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.91 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.968 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.94 -41.56 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.31 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 72.3 t -50.18 -44.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 1.0 110.278 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 pt -74.04 -43.13 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.341 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.35 -46.48 72.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.666 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.86 -48.6 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 10.8 m0 -54.06 -35.22 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.14 103.15 0.37 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.18 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.28 102.0 11.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.944 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 m -150.87 23.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.4 102.08 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.4 -23.3 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.042 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.9 -40.07 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -78.87 -47.9 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.408 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -52.93 -47.54 52.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.378 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -48.62 44.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.73 -52.14 33.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.22 -34.59 67.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.0 110.434 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -57.2 -56.26 24.09 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.139 -0.689 . . . . 1.0 109.139 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.42 -52.48 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.43 -48.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.046 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.11 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.564 -0.454 . . . . 1.0 109.969 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.78 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.298 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.08 -33.25 62.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.39 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -49.64 -27.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.045 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -82.73 -43.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.339 . . . . 1.0 111.224 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 72' ' ' ASN . 11.7 mm-40 -91.15 -74.69 0.49 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.4 mp -36.73 -55.89 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.507 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -49.15 -41.75 37.34 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.688 -0.805 . . . . 1.0 110.057 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' GLU . 12.4 m-20 -76.08 -10.89 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 1.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 6.5 p -89.8 -55.97 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.292 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.16 -52.66 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.573 -0.74 . . . . 1.0 109.758 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -51.06 -49.09 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.77 -27.2 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.849 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.37 -51.17 70.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.667 -0.413 . . . . 1.0 109.973 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.33 -31.25 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.696 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.56 -24.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.062 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -82.6 -111.3 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.741 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 82' ' ' ILE . 93.7 mtt-85 -105.95 -36.71 6.89 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.882 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.3 tt 36.42 97.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.343 0.592 . . . . 1.0 111.298 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.36 -144.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 1.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.85 178.99 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 49.2 t80 -83.86 -16.04 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.763 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.621 ' H ' ' HD1' ' A' ' 87' ' ' HIS . 1.3 m80 -79.51 -10.79 59.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -76.17 27.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.396 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 mp -106.99 -22.63 12.6 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.442 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 10.3 m -69.4 35.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.115 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.23 170.46 0.03 OUTLIER Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.619 -0.992 . . . . 1.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -88.77 -20.43 24.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 1.0 109.846 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -51.14 63.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.667 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.12 -29.8 69.64 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.148 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.9 mtt -74.13 -45.15 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.464 -0.494 . . . . 1.0 109.837 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.43 -39.07 96.78 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.1 t -49.25 -27.61 3.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.0 110.571 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.16 -45.63 10.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.89 41.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.76 -62.45 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.721 0.296 . . . . 1.0 111.714 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.85 -47.69 64.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.2 0.524 . . . . 1.0 111.023 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 106' ' ' ILE . 13.4 pt -73.09 -21.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.145 -0.622 . . . . 1.0 110.903 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -37.1 -49.6 0.88 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.91 0.386 . . . . 1.0 110.646 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 tt -70.12 -38.87 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 103' ' ' ILE . 28.6 mt -68.52 -35.33 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.741 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 109' ' ' VAL . 61.3 t -65.24 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.49 -28.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.539 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 107' ' ' VAL . 48.5 t -92.63 -83.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.716 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.408 HG22 HD13 ' A' ' 110' ' ' ILE . 34.8 mm -45.18 -34.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.041 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -62.46 -41.17 98.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.45 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -68.81 -26.33 65.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.458 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.8 -58.85 5.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.421 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -40.3 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.624 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.38 -42.6 78.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.543 -0.539 . . . . 1.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.67 -42.25 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.28 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -49.26 -24.91 2.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -26.71 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.09 -12.68 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.559 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 75.9 t80 -55.86 170.58 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.999 -1.445 . . . . 1.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' B' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 1.9 t-20 -73.58 6.07 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.521 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' B' ' 1' ' ' ALA . 60.7 t30 -56.27 132.47 50.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.3 -59.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -161.67 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.591 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.5 -42.39 13.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -75.19 -28.49 60.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 1.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -69.46 -36.62 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 73.7 ttt180 -59.17 -42.67 91.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.02 -49.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.343 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.94 -49.07 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.157 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.75 -36.86 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.454 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' B' ' 16' ' ' TYR . . . -61.56 -34.03 74.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.561 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -80.37 -14.36 58.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' B' ' 17' ' ' SER . . . -40.29 -34.22 0.6 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' B' ' 13' ' ' ALA . 0.7 OUTLIER -75.52 19.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 1.0 110.446 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.503 ' H ' ' C ' ' B' ' 15' ' ' GLY . 40.3 m -65.31 -31.18 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -54.24 -41.14 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -62.01 -37.11 83.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.08 -31.47 18.56 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 1.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -65.41 -49.0 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.23 67.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.537 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -31.67 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -62.72 1.28 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.523 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.15 -62.04 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.438 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' B' ' 30' ' ' ALA . 14.3 mm-40 -126.82 -48.28 1.51 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -57.84 -2.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -39.18 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.319 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 29.8 p90 -84.65 -42.88 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.182 0.515 . . . . 1.0 110.061 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 69.0 ttt180 -62.4 -33.03 73.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.427 -0.806 . . . . 1.0 109.825 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.63 -64.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.202 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -44.57 -35.1 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.528 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.67 -58.34 8.59 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.8 t -49.14 -35.21 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.364 . . . . 1.0 110.124 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -7.23 15.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.64 -24.06 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.412 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.88 -62.58 1.44 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -42.49 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.512 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.87 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.9 t -81.99 -41.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.268 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' B' ' 47' ' ' TRP . 72.1 t -50.08 -44.45 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.389 . . . . 1.0 110.349 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.9 pt -74.14 -43.07 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.356 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.53 72.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.87 -48.6 78.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 0.438 ' CD1' ' O ' ' B' ' 43' ' ' VAL . 10.7 m0 -54.14 -35.16 61.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.362 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.18 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.127 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.24 102.0 11.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.002 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.85 23.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.117 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.23 102.07 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.68 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.56 -87.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 1.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 pt -135.51 -23.17 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.055 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -40.0 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -78.92 -47.87 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.397 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 t -52.86 -47.59 51.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.354 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.22 -48.59 45.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.75 -52.07 34.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.22 -34.63 67.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.975 0.417 . . . . 1.0 110.388 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -57.33 -56.06 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.33 -52.58 57.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.973 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.2 t -56.45 -48.57 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.998 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.03 -47.88 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.555 -0.458 . . . . 1.0 109.977 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.79 -48.81 77.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.06 -33.31 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.685 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.17 -50.53 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.5 mt -49.61 -27.62 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.068 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.85 -43.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 72' ' ' ASN . 11.8 mm-40 -91.06 -74.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 73' ' ' SER . 1.4 mp -36.68 -55.93 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.517 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.93 -42.06 35.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.738 -0.785 . . . . 1.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 69' ' ' GLU . 12.1 m-20 -75.9 -10.95 59.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 1.0 110.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' B' ' 74' ' ' ALA . 6.6 p -89.71 -56.02 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.3 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.495 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.2 -52.62 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.762 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -51.06 -48.98 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.726 -0.842 . . . . 1.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -69.91 -27.23 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.24 -51.23 70.65 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.057 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.36 -31.28 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.49 -24.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.143 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.51 -111.42 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' B' ' 82' ' ' ILE . 93.4 mtt-85 -105.9 -36.6 6.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.908 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.3 tt 36.47 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.307 0.575 . . . . 1.0 111.304 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.35 -144.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.764 0.316 . . . . 1.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.85 178.97 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.66 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' B' ' 86' ' ' TYR . 49.1 t80 -83.88 -15.99 46.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.656 ' HD1' ' H ' ' B' ' 87' ' ' HIS . 1.4 m80 -79.49 -10.88 59.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.88 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -76.11 27.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.545 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 mp -106.99 -22.74 12.57 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.452 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 9.6 m -69.31 35.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 1.0 111.216 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.27 170.47 0.03 OUTLIER Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.61 -20.59 24.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.084 0.469 . . . . 1.0 109.957 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.17 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.635 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -67.29 -29.72 69.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.99 -38.64 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.143 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.21 -45.03 50.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.882 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.09 96.85 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 30.8 t -49.3 -27.56 3.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.322 . . . . 1.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.04 -45.63 10.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -21.77 42.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.666 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.74 -62.42 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.74 0.305 . . . . 1.0 111.696 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.88 -47.65 64.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.211 0.529 . . . . 1.0 111.066 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 106' ' ' ILE . 13.3 pt -73.16 -21.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.919 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.93 -49.71 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.025 0.441 . . . . 1.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 16.1 tt -70.08 -38.88 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.106 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 103' ' ' ILE . 28.7 mt -68.47 -35.45 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.728 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 109' ' ' VAL . 61.3 t -65.08 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.929 0.395 . . . . 1.0 110.018 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.52 -28.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.501 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' B' ' 107' ' ' VAL . 48.6 t -92.74 -83.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.656 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.13 -34.92 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.043 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 19.4 m -62.41 -41.2 98.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.461 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -68.8 -26.34 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 60.2 m -64.72 -58.94 4.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.461 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.62 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.39 -42.54 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.73 -42.28 67.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.29 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -49.11 -25.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.635 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.04 -12.65 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.658 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 75.9 t80 -55.95 170.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.507 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 118.018 -1.434 . . . . 1.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.456 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 1.9 t-20 -73.61 6.03 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -56.2 132.44 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.23 -59.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -161.59 -43.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.55 -42.39 13.93 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -75.24 -28.42 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 1.0 110.602 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -69.37 -36.62 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.525 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 73.5 ttt180 -59.23 -42.61 91.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.462 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.05 -49.1 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.302 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.89 -49.16 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.72 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.482 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' C' ' 16' ' ' TYR . . . -61.43 -34.15 74.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.601 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -80.34 -14.34 58.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' C' ' 17' ' ' SER . . . -40.35 -34.18 0.62 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.695 -0.562 . . . . 1.0 111.695 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' C' ' 13' ' ' ALA . 0.7 OUTLIER -75.52 19.58 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.351 . . . . 1.0 110.43 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.502 ' H ' ' C ' ' C' ' 15' ' ' GLY . 40.9 m -65.17 -31.36 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -54.26 -41.17 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -61.93 -37.28 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.94 -31.42 17.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.25 -31.28 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 1.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.498 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.3 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.51 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.63 69.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.506 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.21 -13.37 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.621 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.16 -61.93 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.442 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' C' ' 30' ' ' ALA . 14.4 mm-40 -126.92 -48.27 1.49 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -57.81 -2.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.769 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -39.08 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.316 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 29.5 p90 -84.73 -42.83 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.18 0.514 . . . . 1.0 109.994 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 68.9 ttt180 -62.48 -33.02 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.7 -64.26 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' C' ' 34' ' ' GLU . 0.2 OUTLIER -44.58 -35.11 2.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.564 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.59 -58.42 8.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.1 -35.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.458 -0.371 . . . . 1.0 110.17 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -7.35 15.92 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.57 -24.13 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.34 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.87 -62.66 1.42 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.705 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.53 -42.41 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.524 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.84 76.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -82.01 -41.58 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.272 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' C' ' 47' ' ' TRP . 71.4 t -50.06 -44.52 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 1.0 110.366 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 pt -73.98 -43.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.383 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.49 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.8 -48.68 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.494 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' C' ' 43' ' ' VAL . 10.8 m0 -53.98 -35.33 61.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.339 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.17 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.119 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.33 102.04 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.949 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.92 23.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.059 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.34 102.09 3.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.48 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 pt -135.47 -23.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.89 -40.14 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -78.89 -47.82 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.416 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 t -52.87 -47.68 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.09 -48.68 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.72 -52.01 34.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.28 -34.66 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 120.906 0.384 . . . . 1.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.1 m -57.12 -56.24 24.31 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.203 -0.665 . . . . 1.0 109.203 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 36.2 t -64.52 -52.42 57.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' C' ' 66' ' ' MET . 78.9 t -56.55 -48.59 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.003 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -57.99 -47.82 81.85 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.011 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.77 -48.77 77.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.17 -33.17 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.4 ' N ' ' O ' ' C' ' 62' ' ' VAL . 23.1 mtt -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -49.59 -27.58 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.056 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.85 -43.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 1.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 72' ' ' ASN . 11.8 mm-40 -90.99 -74.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.035 -0.357 . . . . 1.0 110.035 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' C' ' 73' ' ' SER . 1.4 mp -36.69 -55.94 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.692 -0.686 . . . . 1.0 110.469 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -49.12 -41.83 37.25 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.664 -0.814 . . . . 1.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 69' ' ' GLU . 12.4 m-20 -75.91 -10.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' C' ' 74' ' ' ALA . 7.0 p -89.77 -55.96 3.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.356 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.17 -52.68 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.722 . . . . 1.0 109.718 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.97 -49.19 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.81 -27.14 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.805 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.4 -51.24 70.64 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.33 -31.23 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-N 115.526 -0.761 . . . . 1.0 109.678 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.57 -24.22 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.111 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.49 -111.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.708 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 82' ' ' ILE . 93.3 mtt-85 -105.84 -36.76 6.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.936 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.3 tt 36.48 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.304 0.573 . . . . 1.0 111.354 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.3 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.11 100.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 1.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.86 179.0 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 49.3 t80 -83.83 -16.03 46.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.646 ' H ' ' HD1' ' C' ' 87' ' ' HIS . 1.3 m80 -79.56 -10.8 59.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -76.18 27.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.945 0.402 . . . . 1.0 110.446 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 mp -107.02 -22.63 12.59 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.48 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 91' ' ' GLY . 10.4 m -69.34 35.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.28 170.44 0.03 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.75 -20.46 24.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.025 0.441 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.07 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.641 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.26 -29.73 69.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.794 -0.362 . . . . 1.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.03 -38.64 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.164 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 30.2 mtt -74.13 -45.08 51.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.446 -0.502 . . . . 1.0 109.882 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.98 96.72 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.211 -1.156 . . . . 1.0 110.211 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -27.63 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 1.0 110.625 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.0 -45.69 10.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.67 -21.76 42.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.608 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.76 -62.48 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.698 0.285 . . . . 1.0 111.685 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.84 -47.72 64.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.208 0.528 . . . . 1.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 106' ' ' ILE . 13.3 pt -73.07 -21.35 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.861 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -37.04 -49.58 0.85 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.022 0.439 . . . . 1.0 110.672 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 16.1 tt -70.17 -38.93 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.004 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' C' ' 103' ' ' ILE . 28.3 mt -68.4 -35.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.769 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' C' ' 109' ' ' VAL . 60.5 t -65.12 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.56 -28.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.54 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' C' ' 107' ' ' VAL . 48.7 t -92.67 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.7 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.19 -34.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.006 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 19.3 m -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -68.91 -26.29 65.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.423 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.73 -58.93 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.45 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.27 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.635 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.38 -42.64 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.72 -42.26 67.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.245 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -49.07 -24.93 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.629 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -68.1 -12.72 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.568 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 75.8 t80 -55.83 170.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.01 -1.439 . . . . 1.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.96 -139.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -158.44 152.89 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.1 p -152.94 -59.49 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -163.81 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.33 59.92 0.08 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -63.24 -30.54 71.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 1.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.64 -36.61 79.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 68.5 mtm180 -58.15 -39.29 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.37 -48.41 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.302 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.28 -49.02 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -65.65 -36.14 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . . . -63.84 -41.85 97.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.47 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.92 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -92.2 31.32 6.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' A' ' 13' ' ' ALA . 64.8 m-85 -44.28 -19.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 1.0 110.664 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' GLY . 94.6 p -53.48 -24.19 12.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.683 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -50.04 -37.17 31.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 48.6 pttt -54.02 -40.33 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.388 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' LYS . . . -68.83 -32.73 74.16 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.77 -44.69 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 1.0 110.314 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 52.0 ttt85 -57.26 -31.7 65.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.381 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.78 -26.15 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 26' ' ' ILE . . . -66.59 -29.46 69.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 1.0 112.043 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -46.79 -10.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.91 -0.316 . . . . 1.0 111.804 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 24' ' ' ALA . 19.1 mt -95.89 -30.26 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.86 0.362 . . . . 1.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.8 m120 -108.19 44.13 1.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.811 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -179.9 -86.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.043 0.449 . . . . 1.0 110.669 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -70.35 4.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ALA . . . -36.13 -32.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.707 0.289 . . . . 1.0 111.709 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ALA . 37.6 t80 -95.72 -43.18 8.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.882 0.372 . . . . 1.0 111.089 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.9 -27.51 67.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 1.0 109.531 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.0 tp60 -59.97 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.049 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -41.98 -22.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.551 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.62 -48.32 3.0 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.248 -0.741 . . . . 1.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.95 -41.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.315 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -57.01 -62.92 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -35.22 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.528 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -89.91 -49.76 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 70.6 mt -65.04 -35.49 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.749 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.2 63.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.113 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.4 t -78.72 -38.6 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.693 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -49.49 -47.91 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.193 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -74.25 -44.18 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.31 -48.77 46.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.675 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.36 -46.18 89.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.54 -49.07 79.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.432 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.26 101.77 4.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.295 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.64 96.58 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.663 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 51' ' ' ASP . 47.6 t -147.53 -98.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.397 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' VAL . 4.6 p-10 40.24 95.27 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.762 0.315 . . . . 1.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.71 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.769 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -49.1 -28.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.205 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.12 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.101 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -79.91 -48.08 14.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.77 -37.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.041 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.02 -46.07 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.22 -51.11 56.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.438 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 77.2 mt -66.02 -53.56 36.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.058 0.456 . . . . 1.0 110.148 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 m -46.42 -50.54 16.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.069 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.5 t -64.18 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.689 0.281 . . . . 1.0 111.688 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.8 -32.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.156 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 63' ' ' MET . 10.9 tmm? -62.03 -42.07 98.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.593 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.72 -50.71 63.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.952 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 93.7 t -60.86 -36.63 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.869 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLU . 19.8 mtt -57.32 -49.99 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.045 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.7 mt -44.34 -24.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 1.0 110.154 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.68 -31.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 1.0 111.254 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -95.22 -47.92 6.14 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.095 0.405 . . . . 1.0 112.095 -178.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.0 pt -69.86 -50.83 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 70' ' ' ILE . 5.8 tp -49.91 -40.76 44.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.358 -0.537 . . . . 1.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.435 HD21 ' H ' ' C' ' 85' ' ' GLU . 4.5 m120 -75.36 -12.48 60.27 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.8 t -89.92 -56.33 3.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.064 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.87 65.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.117 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 76' ' ' GLU . 11.3 tt -51.16 -43.41 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.625 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 84.1 mt-10 -80.95 -23.66 38.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.583 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.85 -52.88 63.64 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.983 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -53.37 -31.67 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.8 t -85.27 -24.01 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.677 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.5 m-20 -77.36 -103.82 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.024 0.379 . . . . 1.0 112.024 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 82' ' ' ILE . 63.1 mtp180 -100.37 -8.84 22.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.669 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.0 tt 34.4 99.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 1.0 111.846 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -133.67 -69.22 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.45 -1.06 . . . . 1.0 110.45 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.5 m 42.07 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.97 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' H ' HD21 ' B' ' 72' ' ' ASN . 87.4 mt-10 -51.15 127.44 19.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.51 -16.11 46.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.727 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.4 m-70 -76.09 -63.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.536 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' HIS . 8.8 pt-20 26.54 47.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.636 0.585 . . . . 1.0 112.339 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.589 ' CD2' ' H ' ' A' ' 89' ' ' LEU . 1.5 pt? -103.72 -22.09 13.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.625 0.25 . . . . 1.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 38.7 t -73.3 32.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.766 0.317 . . . . 1.0 110.898 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.99 168.66 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.574 -1.01 . . . . 1.0 110.574 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.419 ' O ' ' SD ' ' A' ' 96' ' ' MET . 22.5 ptt180 -85.85 -24.97 26.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 1.0 109.734 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -52.1 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLY . 66.8 tttt -67.47 -29.57 69.06 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.1 -38.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.643 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.72 -43.88 71.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.221 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -65.56 -36.73 92.84 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -33.95 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.711 -0.288 . . . . 1.0 111.348 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.54 5.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.45 59.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.0 t -69.91 -65.45 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.395 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.15 -47.45 68.75 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.551 0.691 . . . . 1.0 110.262 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' VAL . 1.4 tp -68.25 -18.3 23.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.409 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 101' ' ' VAL . . . -47.87 -49.58 29.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.777 0.322 . . . . 1.0 110.924 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.13 -41.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.228 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.78 -30.45 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.717 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' VAL . 2.7 t -80.91 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 121.159 -0.217 . . . . 1.0 110.544 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.84 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 1.0 111.458 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' VAL . 26.1 t -92.44 -81.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.386 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.52 -34.72 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.0 m -61.53 -54.13 47.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.684 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.81 -27.57 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 1.0 110.431 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 52.8 m -65.67 -57.98 6.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.029 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.0 mt -65.71 -38.08 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.71 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.54 -36.11 73.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.778 -0.452 . . . . 1.0 109.778 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.01 -22.67 16.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.046 0.45 . . . . 1.0 110.26 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.97 -30.93 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.187 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 121' ' ' GLY . 46.2 m80 -68.52 -32.86 73.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 92.9 t80 49.14 -87.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.035 -1.425 . . . . 1.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.96 -139.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -158.45 152.91 24.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 47.9 p -152.98 -59.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -163.82 -37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.18 59.94 0.08 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -63.31 -30.48 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.7 -36.63 79.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 68.2 mtm180 -58.19 -39.2 78.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.458 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.44 -48.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.328 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.22 -48.95 86.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.196 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.73 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.349 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.52 ' O ' ' CZ ' ' B' ' 16' ' ' TYR . . . -63.83 -41.78 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -13.88 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.479 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -92.04 31.2 6.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.52 ' CZ ' ' O ' ' B' ' 13' ' ' ALA . 64.5 m-85 -44.19 -19.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 15' ' ' GLY . 94.9 p -52.72 -26.83 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -48.64 -37.04 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.817 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' B' ' 20' ' ' GLY . 48.5 pttt -54.07 -40.35 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' B' ' 19' ' ' LYS . . . -68.84 -32.68 74.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.79 -44.53 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 1.0 110.349 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.567 ' O ' ' CD1' ' B' ' 25' ' ' TRP . 51.9 ttt85 -57.35 -31.62 65.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.84 -26.06 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' B' ' 26' ' ' ILE . . . -66.65 -29.52 69.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.019 -0.537 . . . . 1.0 112.033 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -46.66 -11.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.862 0.319 . . . . 1.0 111.862 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.524 ' H ' ' C ' ' B' ' 24' ' ' ALA . 18.9 mt -95.93 -30.26 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-O 120.85 0.357 . . . . 1.0 110.117 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 24' ' ' ALA . 10.8 m120 -108.16 44.16 1.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' B' ' 30' ' ' ALA . 24.7 tt0 -179.87 -86.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 1.0 110.652 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -70.4 4.93 1.99 Allowed 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.315 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 29' ' ' ALA . . . -36.11 -32.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.66 0.267 . . . . 1.0 111.687 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 29' ' ' ALA . 37.5 t80 -95.77 -43.17 8.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.023 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -66.84 -27.53 67.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.26 0.552 . . . . 1.0 109.63 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' B' ' 35' ' ' GLY . 53.8 tp60 -59.92 -63.54 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.185 -0.916 . . . . 1.0 109.099 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -42.06 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.598 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.59 -48.42 2.98 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -48.0 -41.37 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 121.0 -0.28 . . . . 1.0 110.289 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.94 -62.99 1.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -35.33 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.52 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 37' ' ' ALA . 12.7 mt -89.85 -49.61 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' B' ' 37' ' ' ALA . 71.6 mt -65.14 -35.55 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.763 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.19 63.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.73 -38.6 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.771 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -49.41 -48.01 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.704 -0.398 . . . . 1.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -74.23 -44.13 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.705 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.79 46.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.633 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.19 -46.36 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.296 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -60.44 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.439 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.25 101.73 4.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.319 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.71 96.79 10.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' ASP . 47.9 t -147.7 -98.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' B' ' 50' ' ' VAL . 4.6 p-10 40.15 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 179.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.749 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' B' ' 53' ' ' ILE . 0.1 OUTLIER -49.24 -27.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.225 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.1 3.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 1.0 110.141 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -79.89 -48.06 14.07 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.385 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.83 -37.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -49.92 -46.0 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 mt -51.34 -51.02 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.456 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 63' ' ' MET . 76.3 mt -65.94 -53.59 36.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-O 121.185 0.516 . . . . 1.0 110.234 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.7 m -46.41 -50.54 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t -64.17 -63.99 1.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 1.0 111.605 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.69 -32.53 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.116 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' B' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.09 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.634 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -65.61 -50.77 63.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.052 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.424 ' O ' ' OE2' ' B' ' 69' ' ' GLU . 93.6 t -60.87 -36.56 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.874 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' GLU . 19.6 mtt -57.45 -49.89 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.769 -0.651 . . . . 1.0 109.975 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -44.44 -24.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 1.0 110.147 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' B' ' 66' ' ' MET . 11.1 t -91.73 -31.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -48.02 6.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -178.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 4.1 pt -69.95 -50.65 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.073 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 70' ' ' ILE . 5.9 tp -50.1 -40.64 46.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.337 -0.545 . . . . 1.0 109.769 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.416 HD21 ' H ' ' A' ' 85' ' ' GLU . 4.4 m120 -75.38 -12.48 60.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.9 t -89.99 -56.28 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.051 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.59 -51.87 65.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 11.3 tt -51.06 -43.5 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.783 -0.644 . . . . 1.0 109.584 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 83.9 mt-10 -80.9 -23.69 38.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.616 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.99 63.19 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.457 -0.497 . . . . 1.0 110.0 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -53.31 -31.65 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.182 -0.674 . . . . 1.0 109.182 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.29 -24.03 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.662 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 63.6 m-20 -77.27 -103.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.075 0.398 . . . . 1.0 112.075 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 82' ' ' ILE . 63.4 mtp180 -100.29 -8.85 22.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.72 0.266 . . . . 1.0 111.72 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.0 tt 34.44 99.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.981 0.419 . . . . 1.0 111.902 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -133.61 -69.24 0.08 OUTLIER Glycine 0 N--CA 1.467 0.743 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.6 m 41.93 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 1.0 111.017 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.445 ' H ' HD21 ' C' ' 72' ' ' ASN . 87.3 mt-10 -51.16 127.43 19.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.48 -16.16 46.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' B' ' 88' ' ' GLU . 3.3 m-70 -76.1 -63.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.619 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 87' ' ' HIS . 8.7 pt-20 26.54 48.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.938 -0.574 . . . . 1.0 112.28 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.589 ' H ' ' CD2' ' B' ' 89' ' ' LEU . 1.5 pt? -103.92 -21.93 13.56 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.693 0.283 . . . . 1.0 111.264 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 91' ' ' GLY . 39.7 t -73.31 32.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 1.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.05 168.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.518 -1.033 . . . . 1.0 110.518 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.426 ' O ' ' SD ' ' B' ' 96' ' ' MET . 22.5 ptt180 -85.83 -25.1 26.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.92 -52.12 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 97' ' ' GLY . 66.9 tttt -67.48 -29.48 68.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.59 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.3 -38.57 1.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.582 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' B' ' 96' ' ' MET . 0.2 OUTLIER -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 179.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -65.53 -36.76 92.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.8 t -48.56 -33.8 10.31 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.717 -0.284 . . . . 1.0 111.371 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.05 -50.51 5.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.16 -21.41 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.191 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' B' ' 97' ' ' GLY . 6.1 t -69.96 -65.48 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.343 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.02 -47.58 68.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.535 0.683 . . . . 1.0 110.281 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.4 tp -68.14 -18.37 23.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.486 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 101' ' ' VAL . . . -47.76 -49.66 27.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.86 0.362 . . . . 1.0 110.948 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.1 -41.39 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.212 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.75 -30.39 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.696 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' B' ' 109' ' ' VAL . 2.7 t -80.94 -74.73 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.41 -0.219 . . . . 1.0 110.41 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -36.75 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.488 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.472 ' O ' ' SG ' ' B' ' 113' ' ' CYS . 26.1 t -92.41 -81.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.408 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.402 HG22 HD12 ' B' ' 110' ' ' ILE . 23.2 mm -48.57 -34.68 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 30.9 m -61.62 -54.11 47.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.386 -0.526 . . . . 1.0 110.689 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.78 -27.6 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.385 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 55.1 m -65.7 -57.92 6.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.035 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.77 -38.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.666 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.73 -30.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.64 -36.04 73.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.13 -22.51 17.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -59.07 -30.94 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.205 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' B' ' 121' ' ' GLY . 46.4 m80 -68.49 -32.82 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.592 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 92.9 t80 49.05 -87.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.699 0 CA-C-O 117.972 -1.46 . . . . 1.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.94 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.571 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -158.49 152.88 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.567 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 47.0 p -152.98 -59.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.395 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -163.87 -37.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.596 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.3 59.93 0.08 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 1.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.68 -36.63 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -58.21 -39.19 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.423 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.38 -48.48 72.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.267 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 69.0 mt -62.26 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.69 -36.09 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.451 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.525 ' O ' ' CZ ' ' C' ' 16' ' ' TYR . . . -63.89 -41.85 97.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.01 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -92.08 31.23 6.09 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.525 ' CZ ' ' O ' ' C' ' 13' ' ' ALA . 64.6 m-85 -44.14 -19.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.66 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.466 ' N ' ' O ' ' C' ' 15' ' ' GLY . 96.1 p -53.45 -24.27 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.672 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.6 t90 -50.03 -37.09 31.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.709 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' C' ' 20' ' ' GLY . 48.7 pttt -54.11 -40.3 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.378 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' C' ' 19' ' ' LYS . . . -68.82 -32.8 74.3 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.77 -44.61 95.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 1.0 110.28 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CD1' ' C' ' 25' ' ' TRP . 52.0 ttt85 -57.34 -31.56 65.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.394 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.26 61.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.519 ' C ' ' H ' ' C' ' 26' ' ' ILE . . . -66.7 -29.39 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 1.0 112.001 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' C' ' 22' ' ' ARG . 0.2 OUTLIER -46.67 -11.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -179.321 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' C' ' 24' ' ' ALA . 19.1 mt -95.9 -30.18 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 120.897 0.38 . . . . 1.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' C' ' 24' ' ' ALA . 10.8 m120 -108.18 44.15 1.14 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.807 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -179.89 -86.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.087 0.47 . . . . 1.0 110.68 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -70.43 5.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.297 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 29' ' ' ALA . . . -36.1 -32.1 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.729 0.299 . . . . 1.0 111.707 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' C' ' 29' ' ' ALA . 37.9 t80 -95.77 -43.16 8.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.1 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.93 -27.5 67.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' C' ' 35' ' ' GLY . 54.0 tp60 -59.89 -63.63 1.23 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.32 -0.854 . . . . 1.0 109.068 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -42.13 -22.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.585 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.61 -48.36 2.99 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.97 -41.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.295 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.94 -62.89 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -35.3 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.458 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' C' ' 37' ' ' ALA . 12.9 mt -89.82 -49.81 6.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' C' ' 37' ' ' ALA . 71.9 mt -64.96 -35.59 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.712 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.19 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.68 -38.64 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.745 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -49.44 -47.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 54.8 mt -74.15 -44.24 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.697 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.76 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.681 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.43 -46.12 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 84.9 mt -139.28 101.81 4.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.63 96.7 10.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' C' ' 51' ' ' ASP . 47.8 t -147.67 -98.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 50' ' ' VAL . 4.6 p-10 40.21 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.766 0.317 . . . . 1.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 179.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.695 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -49.28 -27.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.152 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.32 -37.04 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.097 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -79.95 -48.17 13.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.297 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.72 -37.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.03 -45.94 52.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.42 -50.91 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.44 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.03 -53.52 36.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 1.0 110.182 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.1 m -46.44 -50.52 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.024 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 30.0 t -64.16 -63.97 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 1.0 111.678 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.62 -32.61 31.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.172 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' C' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.2 98.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.594 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.49 -50.89 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.97 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' C' ' 69' ' ' GLU . 94.1 t -60.81 -36.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.885 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.459 ' O ' ' N ' ' C' ' 69' ' ' GLU . 19.5 mtt -57.26 -50.04 74.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.029 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.32 -24.21 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-O 120.88 0.372 . . . . 1.0 110.189 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' C' ' 66' ' ' MET . 11.2 t -91.74 -31.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' C' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -47.99 6.13 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -178.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 73' ' ' SER . 4.0 pt -69.82 -50.86 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.241 -0.583 . . . . 1.0 110.093 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' C' ' 70' ' ' ILE . 5.8 tp -50.0 -40.52 44.62 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.801 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.445 HD21 ' H ' ' B' ' 85' ' ' GLU . 4.4 m120 -75.54 -12.37 60.21 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.8 t -90.02 -56.27 3.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.998 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -51.86 65.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.182 0.515 . . . . 1.0 110.031 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' C' ' 76' ' ' GLU . 11.3 tt -51.1 -43.45 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.683 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 84.2 mt-10 -80.93 -23.65 38.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.599 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.83 -52.99 63.19 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.468 -0.493 . . . . 1.0 109.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -53.35 -31.61 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -85.24 -24.04 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.73 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.3 m-20 -77.26 -103.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 82' ' ' ILE . 63.3 mtp180 -100.33 -8.85 22.92 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.708 0.262 . . . . 1.0 111.708 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.9 tt 34.4 99.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.942 0.401 . . . . 1.0 111.814 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -133.7 -69.33 0.08 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.425 ' O ' ' O ' ' C' ' 83' ' ' GLY . 24.2 m 41.99 -166.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.843 0.354 . . . . 1.0 111.022 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . 0.435 ' H ' HD21 ' A' ' 72' ' ' ASN . 87.3 mt-10 -51.14 127.47 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.516 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -83.5 -16.15 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.718 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' C' ' 88' ' ' GLU . 3.4 m-70 -76.12 -63.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' C' ' 87' ' ' HIS . 8.8 pt-20 26.51 48.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.659 0.599 . . . . 1.0 112.248 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.597 ' CD2' ' H ' ' C' ' 89' ' ' LEU . 1.5 pt? -103.78 -22.05 13.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.209 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 91' ' ' GLY . 40.1 t -73.22 32.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 1.0 110.867 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.02 168.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.582 -1.007 . . . . 1.0 110.582 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.423 ' O ' ' SD ' ' C' ' 96' ' ' MET . 22.5 ptt180 -85.9 -25.05 26.37 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.11 58.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' C' ' 97' ' ' GLY . 66.7 tttt -67.49 -29.53 68.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.62 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.27 -38.51 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' C' ' 96' ' ' MET . 0.2 OUTLIER -69.77 -43.78 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' C' ' 94' ' ' LYS . . . -65.6 -36.8 92.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -48.51 -33.86 10.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.727 -0.278 . . . . 1.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.99 -50.48 5.68 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.39 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.258 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' C' ' 97' ' ' GLY . 6.1 t -69.84 -65.5 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.329 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.09 -47.58 68.46 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.595 0.712 . . . . 1.0 110.307 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' C' ' 107' ' ' VAL . 1.4 tp -68.06 -18.36 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.416 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.9 -49.65 29.19 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.795 0.331 . . . . 1.0 110.911 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.1 -41.3 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.253 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.81 -30.41 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.646 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' C' ' 109' ' ' VAL . 2.7 t -80.94 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 122.358 -0.214 . . . . 1.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.76 -29.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 1.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.48 ' O ' ' SG ' ' C' ' 113' ' ' CYS . 26.3 t -92.43 -81.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.35 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.53 -34.84 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 30.6 m -61.63 -53.93 49.69 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.698 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -62.93 -27.57 69.47 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.374 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 52.2 m -65.54 -58.02 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 28.5 mt -65.74 -38.03 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.721 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.63 -30.88 44.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.52 -36.16 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.04 -22.63 16.45 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.277 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.95 -30.93 68.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' C' ' 121' ' ' GLY . 46.3 m80 -68.56 -32.8 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.9 t80 49.1 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.001 -1.444 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.23 168.78 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.511 ' ND2' ' H ' ' A' ' 4' ' ' THR . 9.5 t-20 -52.97 164.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 6' ' ' GLY . 1.3 t -162.68 140.87 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.585 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 7' ' ' PHE . 2.4 m 69.98 -39.72 0.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 4' ' ' THR . . . -77.72 15.91 7.29 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' H ' ' C ' ' A' ' 5' ' ' THR . 61.5 m-85 -50.82 -33.38 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 1.0 110.445 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -61.73 -39.2 90.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.504 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 70.1 mtm180 -55.47 -37.5 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.445 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.8 mp -67.64 -45.62 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.042 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.416 HD12 HG21 ' A' ' 11' ' ' ILE . 97.0 mt -62.4 -49.93 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.181 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.33 -37.61 85.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.105 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -69.24 -42.35 75.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.123 0.487 . . . . 1.0 110.569 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.69 -14.23 56.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.326 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -61.5 -69.25 1.35 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.571 -0.612 . . . . 1.0 111.571 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 13' ' ' ALA . 5.7 m-85 43.16 19.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.745 0.307 . . . . 1.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' GLY . 40.9 t -72.46 -29.46 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.641 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -50.31 -38.96 44.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.463 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -67.11 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.08 -40.62 28.64 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 7.5 mp -66.44 -39.97 89.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 1.0 110.31 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -65.69 -50.33 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.442 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -29.54 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 3.6 t-105 -43.47 -36.03 1.85 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.185 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.33 -12.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 1.0 111.246 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.23 -63.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 30' ' ' ALA . 84.0 mt-10 -106.19 -46.71 4.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 25' ' ' TRP . . . -56.18 -4.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.13 -39.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.225 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ALA . 28.4 m-85 -67.32 -50.01 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.48 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' ALA . 16.8 mmm180 -63.69 -45.45 89.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.015 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.59 32.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.437 . . . . 1.0 110.542 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -95.2 -43.85 7.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.243 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.71 -47.09 8.11 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.5 t -49.97 -48.71 22.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -11.59 45.9 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.96 -30.26 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.379 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.25 -57.41 2.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.92 -0.4 . . . . 1.0 109.92 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -38.34 72.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.763 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.42 70.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.54 -43.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.648 0.261 . . . . 1.0 111.589 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.71 -44.52 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.748 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 20.8 tt -60.78 -45.25 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.334 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -63.43 -30.04 71.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.24 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.34 -48.47 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.249 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -50.38 -52.17 39.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.97 -104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.282 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.8 t0 -159.82 -156.42 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.535 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 14.8 m -97.85 168.95 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' B' ' 53' ' ' ILE . 14.0 p-10 -156.73 -148.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.769 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.18 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.111 0.481 . . . . 1.0 111.553 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 56' ' ' VAL . 30.8 pt -65.42 -26.73 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.344 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.9 p -41.9 -25.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.733 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ILE . 48.2 ttp85 -79.03 -47.81 15.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.175 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' ILE . 57.8 t -65.58 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.766 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.17 -43.19 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 1.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.58 -50.97 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.534 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.5 pt -78.47 -40.88 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.683 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -45.98 -55.33 6.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.581 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -60.66 -51.04 71.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.297 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.06 -39.2 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.245 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.7 mtm -70.28 -49.84 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.63 -51.98 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.087 -0.245 . . . . 1.0 111.636 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.66 -30.09 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.117 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -38.19 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.086 -0.709 . . . . 1.0 109.086 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.9 mm -50.37 -49.09 24.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.992 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 t -84.98 -32.25 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 1.0 112.262 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -91.27 -80.96 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.507 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mm -43.91 -54.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.11 66.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.329 -0.948 . . . . 1.0 109.699 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.69 -11.85 59.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.099 0.476 . . . . 1.0 109.79 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ALA . 5.9 p -89.55 -52.81 4.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.07 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -58.83 -50.95 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.161 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mm -52.91 -29.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.616 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' ASP . 42.9 mm-40 -92.92 -26.08 17.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.99 -52.2 66.49 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.39 -36.28 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.274 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.17 -27.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.58 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.9 m-20 -83.61 -111.15 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 112.002 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.67 ' HE ' ' NH1' ' C' ' 92' ' ' ARG . 60.3 mtm180 -106.07 -33.94 7.72 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.193 -0.458 . . . . 1.0 112.089 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.5 tt 37.0 102.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.457 0.646 . . . . 1.0 111.565 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.57 59.87 0.54 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.9 t -41.59 143.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 1.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 10.2 mp0 -63.34 165.35 7.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -83.87 -38.06 21.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -63.0 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.956 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -47.44 97.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 1.0 110.33 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' GLY . 5.3 tp -155.84 -21.1 0.11 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.793 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -63.04 61.42 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.882 0.373 . . . . 1.0 111.552 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 56.32 166.92 0.06 OUTLIER Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.666 HH12 ' NE ' ' B' ' 81' ' ' ARG . 32.3 ptt-85 -86.11 -19.36 30.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.096 0.474 . . . . 1.0 109.961 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -50.43 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.609 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.0 -34.69 78.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.164 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' O ' ' OG ' ' A' ' 98' ' ' SER . 32.4 m-20 -42.07 -35.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.004 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.4 mtt -74.16 -44.63 52.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.072 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.75 -38.77 96.02 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.231 -1.147 . . . . 1.0 110.231 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 69.6 p -48.67 -27.04 2.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 1.0 110.6 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.82 -21.3 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.388 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.66 -64.62 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.33 -46.14 69.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.398 0.618 . . . . 1.0 111.029 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 107' ' ' VAL . 4.9 pt -71.91 -17.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.8 -48.93 10.97 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.353 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 3.2 pt -65.5 -42.72 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.346 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 110' ' ' ILE . 95.2 mt -74.35 -64.12 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 120.121 -0.631 . . . . 1.0 111.108 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' VAL . 42.0 t -50.46 -77.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.87 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -32.04 -34.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.088 0.47 . . . . 1.0 111.641 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.9 t -90.64 -76.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 106' ' ' ILE . 1.5 mp -45.13 -29.58 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.521 -0.309 . . . . 1.0 110.885 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 112' ' ' TRP . 7.1 t -62.72 -45.72 91.42 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.454 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.467 ' N ' ' CG2' ' A' ' 111' ' ' THR . 60.4 t-105 -64.52 -27.92 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.12 -57.32 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.76 -48.01 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -45.02 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.969 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 120' ' ' PHE . 9.0 t -49.43 -37.07 24.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.538 ' H ' ' C ' ' A' ' 118' ' ' SER . 89.8 t80 -44.99 162.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 1.0 110.596 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.737 0 CA-C-O 118.016 -1.436 . . . . 1.0 110.954 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.24 168.69 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.515 ' ND2' ' H ' ' B' ' 4' ' ' THR . 9.4 t-20 -52.94 164.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.631 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.529 ' C ' ' H ' ' B' ' 6' ' ' GLY . 1.3 t -162.78 140.86 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.422 ' C ' ' H ' ' B' ' 7' ' ' PHE . 2.4 m 70.01 -39.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.646 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' B' ' 4' ' ' THR . . . -77.6 15.83 7.16 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' B' ' 5' ' ' THR . 61.2 m-85 -50.87 -33.33 23.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -61.73 -39.21 90.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 70.0 mtm180 -55.5 -37.39 67.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.482 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' B' ' 10' ' ' ILE . 1.8 mp -67.75 -45.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.976 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -49.81 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.79 -0.364 . . . . 1.0 110.193 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.35 -37.69 85.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.062 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -69.18 -42.34 75.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.059 0.457 . . . . 1.0 110.571 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 -14.17 56.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.357 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -61.52 -69.23 1.36 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.531 -0.627 . . . . 1.0 111.531 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' B' ' 13' ' ' ALA . 5.7 m-85 43.05 19.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.32 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.494 ' N ' ' O ' ' B' ' 15' ' ' GLY . 40.7 t -72.47 -29.43 63.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.638 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -50.31 -38.89 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -67.23 -37.55 83.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.19 -40.63 29.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' B' ' 21' ' ' LEU . 7.5 mp -66.38 -40.0 89.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 1.0 110.313 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -65.62 -50.33 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.694 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.16 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.16 -29.61 66.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.566 ' CD1' ' CB ' ' B' ' 29' ' ' ALA . 3.6 t-105 -43.45 -35.9 1.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.195 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.46 -12.24 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 1.0 111.196 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.35 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.897 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' B' ' 30' ' ' ALA . 83.6 mt-10 -106.13 -46.91 3.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' B' ' 25' ' ' TRP . . . -56.05 -4.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.08 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.196 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.29 -50.01 61.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.482 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' ALA . 16.8 mmm180 -63.54 -45.54 90.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.013 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.61 32.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.001 0.429 . . . . 1.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -95.1 -43.93 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.291 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -47.23 8.12 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.1 t -49.94 -48.7 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.214 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.63 -11.63 46.31 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.896 -0.322 . . . . 1.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 78.5 t -99.91 -30.19 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.24 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.977 -0.379 . . . . 1.0 109.977 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -38.35 72.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -31.41 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.441 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -89.51 -43.84 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 120.67 0.271 . . . . 1.0 111.586 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.63 -44.49 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.75 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 20.8 tt -60.88 -45.2 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.35 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.446 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -63.34 -30.15 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.25 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.28 -48.47 42.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.42 -52.08 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.105 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.02 -104.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.354 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.8 t0 -159.87 -156.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.547 -0.297 . . . . 1.0 110.385 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.521 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 14.6 m -97.92 168.91 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.517 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' C' ' 53' ' ' ILE . 14.0 p-10 -156.65 -148.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.787 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.24 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 1.0 111.661 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 56' ' ' VAL . 30.9 pt -65.4 -26.79 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.291 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.5 p -41.83 -25.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.825 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 53' ' ' ILE . 48.3 ttp85 -79.01 -47.85 15.51 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.114 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 53' ' ' ILE . 57.5 t -65.55 -31.79 55.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.305 -0.861 . . . . 1.0 110.736 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tp -53.09 -43.27 66.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.018 0.437 . . . . 1.0 110.564 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.49 -51.0 51.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.547 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.401 ' CD1' ' OG ' ' C' ' 60' ' ' SER . 11.3 pt -78.57 -40.81 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -46.03 -55.28 7.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.61 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -60.61 -51.16 70.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 1.0 110.35 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.01 -39.17 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.201 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.16 -49.91 45.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.64 -52.02 65.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.619 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -30.16 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -38.17 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -50.46 -49.1 25.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.165 -0.925 . . . . 1.0 111.013 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.95 -32.21 7.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.327 0.492 . . . . 1.0 112.327 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.2 -81.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 31.1 mm -43.76 -54.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.506 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -38.2 66.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.332 -0.947 . . . . 1.0 109.721 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.74 -11.67 59.99 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 77' ' ' ALA . 5.9 p -89.63 -52.91 4.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.733 -0.667 . . . . 1.0 109.97 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -58.79 -50.96 72.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 mm -52.84 -29.51 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.896 -1.047 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 80' ' ' ASP . 43.0 mm-40 -92.82 -26.09 17.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.87 -52.23 66.32 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.39 -36.31 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.245 -0.889 . . . . 1.0 109.332 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.24 -27.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.503 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.7 m-20 -83.69 -111.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.99 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.666 ' NE ' HH12 ' A' ' 92' ' ' ARG . 60.3 mtm180 -106.08 -33.85 7.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.129 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.6 tt 36.94 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.441 0.638 . . . . 1.0 111.639 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.65 60.03 0.53 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.569 -1.012 . . . . 1.0 110.569 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -41.56 143.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 1.0 110.975 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 10.2 mp0 -63.26 165.31 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -83.84 -38.03 21.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -62.99 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.983 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.47 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' B' ' 91' ' ' GLY . 5.3 tp -155.9 -21.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.749 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.5 m -63.08 61.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.924 0.392 . . . . 1.0 111.603 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 56.34 166.9 0.06 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.667 HH12 ' NE ' ' C' ' 81' ' ' ARG . 32.3 ptt-85 -86.04 -19.44 30.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 1.0 110.002 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.43 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.66 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.08 -34.64 78.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.123 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 32.4 m-20 -42.16 -35.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.978 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 24.0 mtt -74.08 -44.68 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.116 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.71 -38.71 95.98 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.215 -1.154 . . . . 1.0 110.215 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 71.0 p -48.85 -26.98 2.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.791 0.329 . . . . 1.0 110.511 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.38 -48.25 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.101 0.477 . . . . 1.0 109.825 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.81 -21.23 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.32 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.71 -64.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.27 -46.22 69.18 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.473 0.654 . . . . 1.0 111.054 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' B' ' 107' ' ' VAL . 4.9 pt -71.84 -17.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.88 -48.84 11.19 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.38 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 3.2 pt -65.56 -42.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' B' ' 110' ' ' ILE . 95.1 mt -74.43 -63.97 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.086 -0.646 . . . . 1.0 111.138 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' B' ' 103' ' ' ILE . 41.7 t -50.61 -76.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.895 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -32.06 -34.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.041 0.448 . . . . 1.0 111.63 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.7 t -90.59 -76.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' B' ' 110' ' ' ILE . 1.5 mp -45.05 -29.61 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.866 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 112' ' ' TRP . 7.1 t -62.71 -45.69 91.58 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.489 -0.484 . . . . 1.0 110.466 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . 0.468 ' N ' ' CG2' ' B' ' 111' ' ' THR . 60.4 t-105 -64.6 -27.92 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.13 -57.38 8.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -39.63 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.591 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.87 -47.94 76.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -45.02 93.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.05 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.34 -40.26 90.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.402 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' SER . . . . . 0.538 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.9 t -49.48 -37.09 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.443 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.56 4.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.979 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.538 ' H ' ' C ' ' B' ' 118' ' ' SER . 89.7 t80 -45.06 163.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.989 -1.45 . . . . 1.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.22 168.73 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.519 ' ND2' ' H ' ' C' ' 4' ' ' THR . 9.4 t-20 -52.93 164.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.625 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.519 ' H ' ' ND2' ' C' ' 3' ' ' ASN . 1.3 t -162.69 140.89 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.415 ' C ' ' H ' ' C' ' 7' ' ' PHE . 2.4 m 69.97 -39.66 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.694 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' C' ' 4' ' ' THR . . . -77.75 15.88 7.38 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.415 ' H ' ' C ' ' C' ' 5' ' ' THR . 61.3 m-85 -50.81 -33.4 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 1.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -61.68 -39.23 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 69.9 mtm180 -55.51 -37.44 67.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.461 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.498 ' CD1' ' N ' ' C' ' 10' ' ' ILE . 1.8 mp -67.69 -45.56 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.023 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.43 -49.86 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.4 -37.6 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.087 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -69.23 -42.35 75.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 1.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.82 -14.08 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -61.58 -69.15 1.38 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.552 -0.619 . . . . 1.0 111.552 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 5.7 m-85 43.07 19.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 1.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.498 ' N ' ' O ' ' C' ' 15' ' ' GLY . 40.8 t -72.52 -29.38 63.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -50.37 -38.9 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -67.11 -37.62 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.529 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.14 -40.6 29.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' C' ' 21' ' ' LEU . 7.5 mp -66.46 -39.95 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 1.0 110.249 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -65.7 -50.26 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.708 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.19 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.459 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.57 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.564 ' CD1' ' CB ' ' C' ' 29' ' ' ALA . 3.6 t-105 -43.59 -35.9 1.9 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.207 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.28 -12.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 1.0 111.206 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.28 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.909 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' C' ' 30' ' ' ALA . 83.9 mt-10 -106.2 -46.84 3.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.614 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' C' ' 25' ' ' TRP . . . -56.07 -4.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.837 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.07 -39.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.233 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' C' ' 29' ' ' ALA . 28.2 m-85 -67.32 -49.95 62.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.531 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' C' ' 29' ' ' ALA . 16.9 mmm180 -63.64 -45.54 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.988 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.93 -15.63 33.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.064 0.459 . . . . 1.0 110.595 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -95.09 -43.87 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.268 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.57 -47.24 8.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.2 t -50.04 -48.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -11.5 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.91 -30.27 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.372 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.23 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -38.4 72.31 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.729 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.96 -31.34 70.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 88.4 t -89.58 -43.7 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.6 0.238 . . . . 1.0 111.578 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.76 -44.44 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 1.0 110.701 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 20.8 tt -60.93 -45.2 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.347 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -63.35 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.3 -48.61 40.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.31 -52.08 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 mt -79.97 -104.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.321 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.8 t0 -159.89 -156.4 0.5 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.341 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . 0.526 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 14.8 m -97.93 168.84 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.51 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 53' ' ' ILE . 13.9 p-10 -156.64 -148.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.783 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -174.05 5.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.074 0.464 . . . . 1.0 111.641 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 56' ' ' VAL . 30.4 pt -65.51 -26.69 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.312 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 23.8 p -41.91 -25.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.718 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 53' ' ' ILE . 48.3 ttp85 -79.04 -47.74 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.201 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' C' ' 53' ' ' ILE . 57.9 t -65.63 -31.73 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.73 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.1 -43.29 66.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.011 0.434 . . . . 1.0 110.467 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.5 -50.99 51.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.635 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 11.4 pt -78.51 -40.86 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' B' ' 59' ' ' ILE . 5.5 t -45.97 -55.37 6.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.54 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 9.1 t -60.72 -51.03 71.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.214 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.13 -39.08 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.225 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.26 -49.95 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.55 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.632 0.234 . . . . 1.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.52 -30.25 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.077 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -38.21 76.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.4 mm -50.33 -49.12 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.035 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.93 -32.24 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -91.19 -80.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.984 0.421 . . . . 1.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.9 -54.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.586 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.13 66.75 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 119.393 -0.923 . . . . 1.0 109.677 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.73 -11.83 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 1.0 109.792 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.475 ' O ' ' N ' ' C' ' 77' ' ' ALA . 5.8 p -89.48 -52.91 4.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.079 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . 0.45 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -58.85 -50.89 72.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.621 -0.718 . . . . 1.0 109.191 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 mm -52.87 -29.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.583 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 80' ' ' ASP . 43.0 mm-40 -92.91 -25.97 17.82 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.97 -52.23 66.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.34 -36.28 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.278 -0.874 . . . . 1.0 109.325 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.35 -27.83 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.524 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' C' ' 76' ' ' GLU . 62.0 m-20 -83.71 -111.2 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.938 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.667 ' NE ' HH12 ' B' ' 92' ' ' ARG . 60.1 mtm180 -105.98 -33.92 7.76 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.182 0.438 . . . . 1.0 112.182 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.5 tt 36.96 102.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 1.0 111.583 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.62 60.03 0.53 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.526 -1.03 . . . . 1.0 110.526 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -41.65 143.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.793 0.33 . . . . 1.0 111.012 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' C' ' 85' ' ' GLU . 10.1 mp0 -63.34 165.3 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -83.82 -38.08 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -62.98 -62.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.932 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.54 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' C' ' 91' ' ' GLY . 5.9 tp -155.8 -21.03 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.727 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -63.14 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.983 0.42 . . . . 1.0 111.621 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 56.26 166.96 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.67 ' NH1' ' HE ' ' A' ' 81' ' ' ARG . 32.3 ptt-85 -86.14 -19.4 30.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 1.0 109.91 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.47 66.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.622 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -67.06 -34.56 77.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.812 0.339 . . . . 1.0 111.236 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 32.4 m-20 -42.02 -35.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.017 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 24.2 mtt -74.25 -44.6 52.36 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.087 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.6 -38.85 96.23 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.255 -1.138 . . . . 1.0 110.255 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 69.5 p -48.73 -26.99 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.745 0.307 . . . . 1.0 110.56 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.89 -21.22 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.679 . . . . 1.0 111.347 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.84 -64.48 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 112.306 0.484 . . . . 1.0 112.306 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 mt -53.34 -46.22 69.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.403 0.62 . . . . 1.0 110.988 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' C' ' 107' ' ' VAL . 4.9 pt -71.86 -17.76 19.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.96 10.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.941 0.4 . . . . 1.0 110.381 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 3.2 pt -65.5 -42.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' C' ' 110' ' ' ILE . 95.2 mt -74.48 -63.96 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.077 -0.649 . . . . 1.0 111.097 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' C' ' 109' ' ' VAL . 41.9 t -50.63 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.885 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -31.96 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.096 0.474 . . . . 1.0 111.649 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.9 t -90.66 -75.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' C' ' 106' ' ' ILE . 1.5 mp -45.15 -29.65 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.857 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' C' ' 112' ' ' TRP . 7.1 t -62.55 -45.84 91.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . 0.467 ' N ' ' CG2' ' C' ' 111' ' ' THR . 60.5 t-105 -64.56 -27.95 69.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.15 -57.35 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.619 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.89 -47.88 76.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -45.17 93.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.913 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.35 -40.27 90.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.313 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.529 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.9 t -49.48 -37.02 24.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' C' ' 118' ' ' SER . 89.6 t80 -44.91 163.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 1.0 110.553 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.682 0 CA-C-O 117.974 -1.459 . . . . 1.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -168.35 94.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.16 163.56 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -163.75 141.61 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -153.06 -37.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.39 42.57 0.02 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -51.25 -29.77 15.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.25 -36.64 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 72.5 ttt180 -57.44 -37.76 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.4 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.9 mp -66.99 -46.83 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.9 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 11' ' ' ILE . 87.7 mt -63.0 -49.29 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.112 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.422 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -63.93 -39.63 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -14.4 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.637 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -92.09 -15.92 52.4 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 13' ' ' ALA . 48.6 m-85 40.26 22.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 1.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' GLY . 35.9 p -77.32 -39.68 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -58.2 -42.48 86.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.28 -42.47 99.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.67 -22.4 78.01 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.35 -25.4 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 1.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.44 -50.37 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.46 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.84 91.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.357 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.558 ' C ' ' H ' ' A' ' 26' ' ' ILE . . . -51.69 -29.06 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.542 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 27' ' ' ASN . 5.5 t-105 -71.08 35.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.476 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.558 ' H ' ' C ' ' A' ' 24' ' ' ALA . 14.2 pt -55.25 -11.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.203 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 16.2 p-10 -60.25 -60.97 2.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.435 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.525 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 66.4 mt-10 -107.19 -44.84 4.26 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.752 0.311 . . . . 1.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -58.03 -3.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.93 -39.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.662 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -96.63 -35.62 10.99 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.253 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.24 -41.61 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 1.0 110.095 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.01 -63.31 1.34 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.571 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -44.43 -36.41 2.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.941 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -66.79 -58.67 7.99 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.82 -34.27 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -6.5 9.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.34 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t -103.36 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.323 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.3 mp -91.93 -48.67 6.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.162 0.506 . . . . 1.0 110.648 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.66 -42.16 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.109 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.47 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.5 -37.65 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.92 -48.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.569 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 45' ' ' ALA . 4.4 pt -72.82 -46.98 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.253 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 44' ' ' ILE . . . -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 1.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -71.63 -46.54 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.331 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -52.67 -44.92 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.32 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.434 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 45.6 p-10 -84.42 -160.12 0.45 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.656 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.42 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.36 152.91 51.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.002 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.57 -59.84 2.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.407 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -173.44 -31.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.579 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -50.0 -35.12 23.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.749 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -78.87 -48.06 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.25 -45.23 98.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.619 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.47 -50.56 31.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 1.0 109.914 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 79.6 mt -46.72 -41.99 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.691 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.21 -49.99 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.907 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.14 -55.79 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.716 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 t -63.98 -63.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.116 0.484 . . . . 1.0 110.531 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 58' ' ' LEU . 45.1 t -51.33 -32.08 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.867 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.6 ttm -58.84 -30.94 68.05 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.429 -0.508 . . . . 1.0 109.929 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.1 mt -64.0 -44.99 90.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.3 -33.65 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.935 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 31.1 mtt -62.55 -49.85 73.66 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.287 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -44.31 -30.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.684 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.39 -28.7 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 1.0 111.63 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.23 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.778 0.323 . . . . 1.0 111.053 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 73' ' ' SER . 44.5 mm -62.34 -60.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.35 -36.72 44.3 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.946 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.47 -11.05 60.68 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.43 0.634 . . . . 1.0 109.395 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 74' ' ' ALA . 1.2 p -89.73 -54.25 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.91 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.553 ' N ' ' HG ' ' A' ' 73' ' ' SER . . . -59.44 -52.09 67.07 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.546 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 76' ' ' GLU . 10.7 tp -50.45 -46.08 26.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.155 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 15.0 tt0 -79.73 -23.7 42.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.06 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -58.08 -54.78 43.07 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.531 -0.467 . . . . 1.0 110.759 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.94 -31.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.59 -33.67 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.237 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' GLU . 84.3 m-20 -83.01 -108.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.581 ' C ' ' H ' ' A' ' 83' ' ' GLY . 73.6 mtp180 -104.53 6.02 34.39 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.321 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ALA . 5.7 mt 67.2 -28.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.477 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 81' ' ' ARG . . . 105.78 1.78 39.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 4.4 t 65.45 59.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 1.0 110.964 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.12 88.26 7.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.339 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.443 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 56.9 m-85 -79.01 -31.44 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.975 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 2.2 m-70 -58.79 -63.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.895 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.613 ' C ' ' H ' ' A' ' 90' ' ' SER . 5.8 tt0 32.73 -146.31 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.331 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.536 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 tp 62.72 -27.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.278 0.473 . . . . 1.0 112.278 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.613 ' H ' ' C ' ' A' ' 88' ' ' GLU . 11.7 m -52.9 -1.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.882 0.326 . . . . 1.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.21 172.29 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.554 -1.019 . . . . 1.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.06 -24.55 21.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.68 -52.61 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.791 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 98' ' ' SER . 31.8 mttt -69.08 -28.3 66.39 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.947 0.403 . . . . 1.0 111.192 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 80.4 m-20 -44.31 -41.43 5.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.466 -0.494 . . . . 1.0 110.805 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' B' ' 30' ' ' ALA . 6.1 mtp -82.23 -50.3 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.886 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -61.26 -46.54 94.24 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.371 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' LYS . 67.0 m -49.36 -31.0 8.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.764 0.316 . . . . 1.0 111.092 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.83 -53.12 4.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.52 -21.83 62.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.799 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.548 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 12.1 p -72.17 -62.18 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.591 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.548 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 9.4 tp -52.93 -44.79 67.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.895 0.855 . . . . 1.0 109.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 106' ' ' ILE . 28.5 mm -75.05 -22.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.3 -0.863 . . . . 1.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -38.16 -49.01 1.31 Allowed 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.092 0.473 . . . . 1.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.7 pt -69.56 -40.72 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.299 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 89.7 mt -70.73 -34.72 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.272 -0.571 . . . . 1.0 112.291 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.666 ' CG1' ' H ' ' A' ' 108' ' ' ALA . 9.4 p -82.86 -71.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.666 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . -38.96 -28.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.627 0.251 . . . . 1.0 111.455 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 105' ' ' ILE . 87.0 t -86.05 -80.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.338 . . . . 1.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.54 -24.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.132 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 49.8 m -59.37 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 1.0 110.566 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.2 -22.47 11.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.42 -57.56 9.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.366 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.526 ' H ' HD12 ' A' ' 114' ' ' ILE . 1.8 mp -65.17 -46.46 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.327 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.11 -33.79 65.44 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.53 -45.96 60.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.457 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.12 -20.97 1.67 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.29 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -60.02 -26.44 66.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.622 ' HD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -63.53 -5.84 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.544 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.622 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 71.0 t80 -78.99 -98.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.517 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.7 0 CA-C-O 117.994 -1.448 . . . . 1.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -168.28 94.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.06 163.58 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 13.9 m -163.77 141.57 7.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 46.4 p -152.97 -37.83 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.47 42.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -51.2 -29.91 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 1.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -66.07 -36.73 84.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 72.5 ttt180 -57.35 -37.86 73.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' B' ' 10' ' ' ILE . 1.9 mp -66.87 -46.94 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.838 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.406 HD11 HG22 ' B' ' 11' ' ' ILE . 88.0 mt -62.93 -49.32 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.17 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.373 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -63.88 -39.56 94.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.51 -14.28 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.706 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -92.19 -15.99 51.9 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' B' ' 13' ' ' ALA . 48.7 m-85 40.51 21.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.772 0.32 . . . . 1.0 111.037 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 15' ' ' GLY . 36.5 p -76.68 -40.1 50.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -57.86 -42.52 84.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.26 -42.5 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -22.58 77.85 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.01 -25.85 63.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 1.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -63.21 -50.34 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.79 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' B' ' 26' ' ' ILE . . . -51.74 -29.05 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.482 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' B' ' 27' ' ' ASN . 5.5 t-105 -71.11 35.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.505 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' B' ' 24' ' ' ALA . 14.2 pt -55.33 -11.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' B' ' 28' ' ' GLU . 16.2 p-10 -60.23 -61.0 2.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.48 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.522 ' H ' ' CG ' ' B' ' 27' ' ' ASN . 66.3 mt-10 -107.1 -44.85 4.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 1.0 110.721 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -58.11 -3.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.756 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.82 -39.37 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.652 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -96.62 -35.7 10.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.251 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.15 -41.67 99.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.071 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.633 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -44.6 -36.26 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.871 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -66.93 -58.61 7.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 109.386 -1.486 . . . . 1.0 109.386 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.83 -34.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.4 -6.43 10.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.284 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' B' ' 35' ' ' GLY . 24.0 t -103.4 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.302 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' B' ' 39' ' ' LEU . 9.3 mp -91.98 -48.55 6.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.136 0.493 . . . . 1.0 110.703 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.66 -42.07 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.51 69.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.304 0.483 . . . . 1.0 112.304 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -96.48 -37.54 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.02 -48.68 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.466 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.473 ' CG1' ' N ' ' B' ' 45' ' ' ALA . 4.4 pt -72.8 -47.02 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 44' ' ' ILE . . . -59.03 -34.62 72.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.55 -46.57 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -52.75 -44.85 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 mt -95.37 -144.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ALA . 45.7 p-10 -84.49 -160.08 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.564 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.34 152.93 51.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.358 -0.383 . . . . 1.0 109.987 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.67 -59.78 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.331 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -173.53 -31.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.61 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.748 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -78.88 -48.05 15.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 1.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.36 -45.09 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.661 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.57 -50.51 32.03 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.891 -0.411 . . . . 1.0 109.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' B' ' 62' ' ' VAL . 79.7 mt -46.75 -41.92 16.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.685 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' B' ' 63' ' ' MET . 80.3 mt -78.27 -49.95 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.892 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.25 -55.78 16.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.709 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.1 t -63.95 -63.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.002 0.43 . . . . 1.0 110.489 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' B' ' 58' ' ' LEU . 45.3 t -51.37 -32.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 63' ' ' MET . 30.6 ttm -58.8 -31.01 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.859 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.94 -45.05 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.24 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.934 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' B' ' 70' ' ' ILE . 31.0 mtt -62.68 -49.71 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.273 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.39 -30.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.624 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -91.5 -28.61 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.671 0.272 . . . . 1.0 111.56 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.22 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.856 0.36 . . . . 1.0 111.105 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.6 mm -62.51 -60.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.167 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.38 -36.64 44.27 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.962 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -71.5 -11.0 60.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.368 0.604 . . . . 1.0 109.374 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.2 p -89.78 -54.27 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.882 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.442 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.622 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 10.7 tp -50.39 -46.1 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.428 -0.806 . . . . 1.0 110.2 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' B' ' 75' ' ' ILE . 15.0 tt0 -79.76 -23.67 42.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.805 -0.358 . . . . 1.0 111.07 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.06 -54.71 43.89 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.77 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -54.09 -31.16 21.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -82.62 -33.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.165 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' GLU . 84.3 m-20 -82.95 -108.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.51 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.576 ' C ' ' H ' ' B' ' 83' ' ' GLY . 73.5 mtp180 -104.53 6.0 34.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.356 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' B' ' 77' ' ' ALA . 5.7 mt 67.3 -28.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.429 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' B' ' 81' ' ' ARG . . . 105.94 1.66 39.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' B' ' 86' ' ' TYR . 4.3 t 65.43 59.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.755 0.312 . . . . 1.0 110.942 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.16 88.23 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.28 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' OG ' ' B' ' 84' ' ' SER . 56.9 m-85 -78.92 -31.56 45.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.062 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 2.2 m-70 -58.73 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.919 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.599 ' C ' ' H ' ' B' ' 90' ' ' SER . 5.8 tt0 32.82 -146.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.226 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.542 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 tp 62.6 -27.31 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.355 0.502 . . . . 1.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.599 ' H ' ' C ' ' B' ' 88' ' ' GLU . 11.7 m -52.98 -1.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.24 172.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.02 -24.61 21.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.47 44.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.86 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' B' ' 98' ' ' SER . 31.7 mttt -69.18 -28.35 66.33 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.89 0.376 . . . . 1.0 111.122 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 80.4 m-20 -44.22 -41.5 5.87 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.401 -0.52 . . . . 1.0 110.846 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' C' ' 30' ' ' ALA . 6.2 mtp -82.16 -50.29 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.844 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -61.31 -46.47 94.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 120.768 -0.73 . . . . 1.0 111.392 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.467 ' N ' ' O ' ' B' ' 94' ' ' LYS . 66.9 m -49.45 -30.94 8.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.805 0.336 . . . . 1.0 111.146 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.79 -53.18 4.12 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.38 -21.92 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.828 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.547 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 12.3 p -72.08 -62.36 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 120.827 -0.349 . . . . 1.0 111.565 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.547 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 7.6 tp -53.09 -44.5 67.63 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.874 0.845 . . . . 1.0 109.539 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.428 HG21 HD13 ' B' ' 103' ' ' ILE . 28.2 mm -75.08 -22.46 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.421 -0.808 . . . . 1.0 111.178 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -38.16 -48.96 1.31 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.117 0.484 . . . . 1.0 110.733 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 2.7 pt -69.54 -40.75 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.427 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' B' ' 103' ' ' ILE . 89.8 mt -70.69 -34.79 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 120.239 -0.584 . . . . 1.0 112.285 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.668 ' CG1' ' H ' ' B' ' 108' ' ' ALA . 9.3 p -82.86 -71.17 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.242 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.668 ' H ' ' CG1' ' B' ' 107' ' ' VAL . . . -38.74 -28.73 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.586 0.231 . . . . 1.0 111.461 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' B' ' 105' ' ' ILE . 86.5 t -85.96 -80.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 1.0 110.605 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.72 -24.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.142 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 48.9 m -59.4 -53.71 55.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 1.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -54.26 -22.41 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.367 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.38 -57.62 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.395 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.523 HD12 ' H ' ' B' ' 114' ' ' ILE . 1.8 mp -64.99 -46.66 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.37 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 45.2 mt -56.0 -33.84 65.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.138 -0.689 . . . . 1.0 109.138 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 62.6 tp -71.44 -45.98 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.602 -0.726 . . . . 1.0 109.465 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 53.3 t-105 -51.19 -21.06 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.17 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.97 -26.38 65.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.336 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.622 ' HD1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.55 -5.75 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.622 ' N ' ' HD1' ' B' ' 119' ' ' HIS . 70.9 t80 -79.03 -98.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.514 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 117.973 -1.46 . . . . 1.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -168.29 94.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.11 163.59 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -163.77 141.64 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.627 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.4 p -153.03 -37.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.45 42.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -51.14 -29.89 14.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.398 . . . . 1.0 110.61 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -66.13 -36.66 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.559 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 72.5 ttt180 -57.46 -37.87 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.351 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' C' ' 10' ' ' ILE . 1.9 mp -66.78 -46.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.853 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.06 -49.23 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.128 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -66.02 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.398 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.531 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.707 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -14.32 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -92.16 -15.88 52.34 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 48.7 m-85 40.31 22.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.804 0.335 . . . . 1.0 110.97 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 15' ' ' GLY . 35.8 p -77.39 -39.76 46.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -58.11 -42.42 85.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.569 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.3 -42.55 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.62 -22.4 77.95 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.12 -25.79 63.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 1.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -63.15 -50.4 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.8 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.34 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' C' ' 26' ' ' ILE . . . -51.78 -29.12 17.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.477 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' C' ' 27' ' ' ASN . 5.5 t-105 -71.03 35.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.533 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . 0.57 ' H ' ' C ' ' C' ' 24' ' ' ALA . 14.5 pt -55.31 -11.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.1 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' C' ' 28' ' ' GLU . 16.2 p-10 -60.21 -61.04 2.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.442 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' C' ' 30' ' ' ALA . 66.4 mt-10 -107.08 -44.9 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.744 0.307 . . . . 1.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' C' ' 30' ' ' ALA . . . -57.99 -3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.769 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.91 -39.31 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.611 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.61 -35.61 11.0 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.266 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -63.22 -41.64 99.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.044 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.27 1.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.575 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -44.49 -36.26 2.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -66.81 -58.72 7.9 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 109.381 -1.488 . . . . 1.0 109.381 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.73 -34.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -6.38 9.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.283 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' C' ' 35' ' ' GLY . 23.5 t -103.37 -24.7 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.365 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' C' ' 39' ' ' LEU . 9.3 mp -92.04 -48.54 6.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.087 0.47 . . . . 1.0 110.613 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -41.92 77.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.067 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.46 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.56 -37.65 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.9 -48.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.575 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.474 ' CG1' ' N ' ' C' ' 45' ' ' ALA . 4.4 pt -72.84 -47.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.255 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' C' ' 44' ' ' ILE . . . -58.92 -34.73 72.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.53 -46.57 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -52.68 -44.95 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.367 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.28 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ALA . 45.7 p-10 -84.46 -160.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -98.85 -151.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.591 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.33 152.92 51.95 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.62 -59.87 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 9.6 tp -173.48 -31.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.548 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.743 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -78.86 -48.05 15.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 1.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -63.29 -45.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.606 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.57 -50.49 32.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.998 0.428 . . . . 1.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' C' ' 62' ' ' VAL . 79.5 mt -46.8 -41.85 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.693 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.29 -50.0 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -51.23 -55.77 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.707 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -63.96 -63.01 1.27 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.043 0.449 . . . . 1.0 110.494 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' C' ' 58' ' ' LEU . 45.0 t -51.44 -31.97 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.877 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttm -58.88 -30.95 68.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.372 -0.531 . . . . 1.0 109.951 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.95 -45.04 90.93 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.19 -33.76 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.938 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' C' ' 70' ' ' ILE . 31.0 mtt -62.47 -49.82 73.87 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.325 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.41 -30.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.643 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.42 -28.64 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.761 0.315 . . . . 1.0 111.601 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -95.35 -57.22 2.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.751 0.31 . . . . 1.0 111.031 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' C' ' 73' ' ' SER . 44.7 mm -62.41 -60.29 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.22 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.43 -36.6 44.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.242 -0.583 . . . . 1.0 109.982 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.49 -11.11 60.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.516 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.2 p -89.72 -54.24 4.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.931 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.47 -52.06 67.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.575 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' C' ' 76' ' ' GLU . 10.7 tp -50.42 -46.1 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.454 ' N ' ' CG2' ' C' ' 75' ' ' ILE . 15.1 tt0 -79.82 -23.61 41.94 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.888 -0.325 . . . . 1.0 111.043 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.11 -54.79 42.93 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.733 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.99 -31.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.52 -33.72 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.202 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -83.0 -108.18 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.444 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' C' ' 83' ' ' GLY . 73.7 mtp180 -104.6 6.14 34.28 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.359 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 77' ' ' ALA . 5.7 mt 67.13 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' C' ' 81' ' ' ARG . . . 105.87 1.72 39.51 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.441 ' OG ' ' CE2' ' C' ' 86' ' ' TYR . 4.3 t 65.44 59.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.08 88.25 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.441 ' CE2' ' OG ' ' C' ' 84' ' ' SER . 56.9 m-85 -78.94 -31.59 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 2.2 m-70 -58.69 -63.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.612 ' C ' ' H ' ' C' ' 90' ' ' SER . 5.8 tt0 32.82 -146.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.231 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 tp 62.63 -27.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' SER . . . . . 0.612 ' H ' ' C ' ' C' ' 88' ' ' GLU . 12.4 m -52.88 -1.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.849 0.314 . . . . 1.0 111.849 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.26 172.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.535 -1.026 . . . . 1.0 110.535 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -89.97 -24.49 21.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.3 0.571 . . . . 1.0 109.465 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.69 -52.55 43.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.812 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 98' ' ' SER . 31.8 mttt -69.16 -28.39 66.38 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.847 0.356 . . . . 1.0 111.029 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 80.6 m-20 -44.17 -41.54 5.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.848 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 30' ' ' ALA . 6.1 mtp -82.09 -50.39 9.11 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.895 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -61.18 -46.63 94.1 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' SER . . . . . 0.452 ' N ' ' O ' ' C' ' 94' ' ' LYS . 66.4 m -49.32 -31.11 8.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.813 0.339 . . . . 1.0 111.041 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.77 -53.14 4.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.4 -21.94 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.851 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.541 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 12.2 p -72.15 -62.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 120.761 -0.376 . . . . 1.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.541 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 9.4 tp -52.94 -44.75 67.29 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.857 0.836 . . . . 1.0 109.457 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' C' ' 106' ' ' ILE . 28.2 mm -75.11 -22.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -38.19 -48.95 1.32 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.123 0.487 . . . . 1.0 110.721 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.7 pt -69.64 -40.73 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.31 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' C' ' 103' ' ' ILE . 89.5 mt -70.68 -34.75 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.318 -0.553 . . . . 1.0 112.296 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.66 ' CG1' ' H ' ' C' ' 108' ' ' ALA . 9.3 p -82.86 -71.18 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.66 ' H ' ' CG1' ' C' ' 107' ' ' VAL . . . -38.82 -28.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 1.0 111.516 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' C' ' 105' ' ' ILE . 86.5 t -86.05 -80.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.626 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 47.0 mt -48.72 -24.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.118 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 49.4 m -59.46 -53.68 55.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 1.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.24 -22.44 11.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.338 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.5 -57.44 10.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.6 . . . . 1.0 111.393 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.508 HD11 ' H ' ' C' ' 114' ' ' ILE . 1.8 mp -65.23 -46.55 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.29 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.97 -33.82 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 62.5 tp -71.46 -46.0 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.528 -0.76 . . . . 1.0 109.488 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.1 -21.08 1.7 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.281 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 -26.42 66.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.285 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.63 ' HD1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -63.47 -5.88 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.63 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 70.8 t80 -78.98 -98.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.509 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.004 -1.442 . . . . 1.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -62.69 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 1' ' ' ALA . 54.2 t-20 -75.75 -52.5 10.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -66.63 -129.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -159.58 -37.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.71 56.46 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' N ' ' A' ' 8' ' ' THR . 54.1 p90 -75.07 -44.27 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 1.0 110.481 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.535 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 13.9 m -53.12 -36.6 60.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.453 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 91.8 mtt-85 -59.06 -38.47 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.322 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.91 -48.1 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.0 mm -64.6 -48.02 86.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.076 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.74 -36.47 83.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 9' ' ' ARG . . . -61.29 -40.48 94.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.01 68.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.521 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' SER . . . 83.43 68.63 1.41 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.94 13.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.882 -0.414 . . . . 1.0 109.882 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 15' ' ' GLY . 34.9 t -56.47 -43.12 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.633 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -63.84 -46.05 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.01 -41.4 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.24 -17.27 65.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.88 -48.01 60.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.721 0.296 . . . . 1.0 110.428 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.6 -35.6 81.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.15 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.61 -46.3 86.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.615 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 m0 -44.24 -41.24 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.675 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.9 mp -80.1 -29.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.151 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -108.3 41.66 1.52 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.211 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 30' ' ' ALA . 30.9 tt0 -176.68 -90.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.099 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -68.87 4.44 1.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.382 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TRP . . . -36.36 -34.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.567 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 52.1 p90 -94.32 -41.35 9.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.028 0.442 . . . . 1.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 57.8 ttt-85 -64.81 -26.49 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.02 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.0 -61.27 2.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.745 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.26 -30.3 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.471 -0.786 . . . . 1.0 111.463 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.57 -59.18 1.55 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.002 -0.618 . . . . 1.0 112.118 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.09 -33.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.171 -0.606 . . . . 1.0 110.541 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.57 -58.84 6.32 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.06 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -39.02 -20.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.944 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.56 -54.36 4.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' ALA . 20.1 mt -58.02 -34.78 70.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.027 -0.988 . . . . 1.0 110.062 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.56 61.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.799 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 t -85.89 -44.14 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.6 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.76 -46.44 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.596 -0.441 . . . . 1.0 110.707 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 10.1 tp -73.82 -48.1 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.621 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -52.31 -34.31 46.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 1.0 110.344 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.18 -44.86 95.66 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.766 -0.457 . . . . 1.0 109.766 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 6.4 m0 -73.54 -42.89 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -84.74 171.43 12.32 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.129 -0.323 . . . . 1.0 110.129 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 -150.28 0.3 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.59 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 t -146.93 159.96 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.188 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 30.5 t0 -153.34 -139.29 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.517 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -60.1 -176.91 0.05 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -155.35 19.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.114 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.695 ' HG1' HH21 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.57 0.3 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.013 0.435 . . . . 1.0 110.186 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.695 HH21 ' HG1' ' A' ' 54' ' ' THR . 5.1 mmp_? -60.01 -40.5 89.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.542 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 53' ' ' ILE . 54.8 t -45.92 -31.99 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.213 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -51.06 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.609 -0.437 . . . . 1.0 109.882 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -49.08 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.989 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' MET . 85.5 mt -66.86 -55.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 1.0 109.92 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.23 -36.41 3.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.05 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -62.58 -59.85 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.43 -27.43 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.098 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ILE . 27.4 ttp -58.79 -40.32 83.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.94 -34.75 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.61 -32.05 52.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.966 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.9 mmm -54.43 -48.73 71.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.418 HD11 HG21 ' A' ' 67' ' ' ILE . 89.9 mt -50.29 -27.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.814 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.63 -27.25 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.755 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.21 -52.84 3.54 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.775 0.321 . . . . 1.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' MET . 35.8 mm -63.81 -58.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.54 -35.74 54.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.74 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.39 -9.8 59.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.118 0.485 . . . . 1.0 109.964 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 p -88.04 -49.71 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.474 -0.785 . . . . 1.0 110.161 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.27 77.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.806 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 pt -66.64 -14.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.123 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -93.98 -34.68 12.95 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.86 -42.93 65.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.902 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 m -83.28 -27.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.678 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.85 -106.9 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.012 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.45 -54.76 2.47 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.795 0.294 . . . . 1.0 111.795 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.84 138.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.846 0.355 . . . . 1.0 110.049 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -96.44 -37.04 4.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 60.2 p 53.86 84.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 1.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -52.89 164.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 88' ' ' GLU . 64.3 t80 -83.54 -14.99 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.729 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' H ' ' HD1' ' A' ' 87' ' ' HIS . 18.0 m80 -55.29 -10.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.911 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 86' ' ' TYR . 33.2 mt-10 -56.76 102.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.1 tp -174.81 -49.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.693 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.62 30.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.183 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.63 170.09 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' SD ' ' A' ' 96' ' ' MET . 35.3 ptt85 -86.46 -23.28 26.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.984 0.421 . . . . 1.0 110.179 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.5 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HZ2' ' ND2' ' B' ' 27' ' ' ASN . 37.7 mttp -66.29 -28.18 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.921 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.87 -40.56 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 1.0 110.649 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.561 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.1 mpt? -70.21 -44.33 68.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.61 -34.33 89.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.488 ' HG ' ' N ' ' A' ' 99' ' ' ALA . 21.2 p -49.86 -32.3 14.07 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.933 0.397 . . . . 1.0 111.208 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.488 ' N ' ' HG ' ' A' ' 98' ' ' SER . . . -95.03 -52.39 4.24 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -58.14 -24.17 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.328 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.549 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 13.8 p -68.44 -60.21 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.555 -0.458 . . . . 1.0 110.138 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.549 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 12.7 mt -52.21 -44.75 64.93 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.704 -0.798 . . . . 1.0 109.516 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 106' ' ' ILE . 31.5 mt -74.45 -24.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -41.82 -49.86 4.4 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.847 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -62.64 -38.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 103' ' ' ILE . 22.4 mm -72.51 -30.59 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 120.589 -0.444 . . . . 1.0 110.913 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 109' ' ' VAL . 92.7 t -65.36 -77.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.067 0.461 . . . . 1.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.41 -24.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.468 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' VAL . 91.2 t -87.28 -84.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 1.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.46 -25.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.099 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 60.6 m -59.31 -52.81 64.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.888 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.89 -30.97 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.106 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.75 -59.07 5.72 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.258 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.952 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.15 -49.99 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.196 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.66 -20.53 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.75 -24.69 66.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.735 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -62.65 -15.5 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.984 -179.324 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 92.5 t80 43.65 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.012 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.751 0 CA-C-O 117.996 -1.447 . . . . 1.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -62.68 77.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.566 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 1' ' ' ALA . 54.0 t-20 -75.62 -52.63 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.572 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 60.0 p -66.54 -129.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.6 m -159.56 -37.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.76 56.47 0.02 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' B' ' 8' ' ' THR . 54.0 p90 -75.03 -44.3 48.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.831 0.348 . . . . 1.0 110.529 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.538 ' N ' ' CD2' ' B' ' 7' ' ' PHE . 13.3 m -52.96 -36.76 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.502 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 91.7 mtt-85 -59.04 -38.44 79.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.347 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.85 -48.14 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.404 HG23 HD13 ' B' ' 11' ' ' ILE . 14.0 mm -64.57 -48.04 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.138 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.77 -36.36 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.493 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 9' ' ' ARG . . . -61.3 -40.49 94.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.496 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -35.84 68.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.466 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' B' ' 17' ' ' SER . . . 83.34 68.73 1.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.02 13.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' ' 15' ' ' GLY . 35.2 t -56.51 -42.87 79.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -64.05 -46.01 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.05 -41.5 86.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -17.19 65.68 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.95 -47.87 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.737 0.303 . . . . 1.0 110.448 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -64.8 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.467 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.23 63.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.57 -46.43 85.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' B' ' 30' ' ' ALA . 38.6 m0 -44.11 -41.2 5.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.696 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' B' ' 26' ' ' ILE . 1.9 mp -80.21 -28.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.185 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 24' ' ' ALA . 0.8 OUTLIER -108.24 41.54 1.54 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.206 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' B' ' 30' ' ' ALA . 31.0 tt0 -176.63 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.857 0.361 . . . . 1.0 111.023 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 4.45 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.192 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 25' ' ' TRP . . . -36.4 -34.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 1.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 52.0 p90 -94.36 -41.41 9.43 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.121 0.486 . . . . 1.0 110.574 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.569 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 57.8 ttt-85 -64.71 -26.48 68.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.059 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.01 -61.41 2.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.698 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.2 -30.28 49.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.441 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.64 -59.18 1.55 Allowed Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.037 -0.602 . . . . 1.0 112.052 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.0 -33.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 122.199 -0.589 . . . . 1.0 110.516 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.58 -58.95 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -38.82 -20.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.926 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.67 -54.27 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 37' ' ' ALA . 20.2 mt -58.08 -34.8 70.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.135 -0.939 . . . . 1.0 109.998 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.69 -25.57 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 1.0 111.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 t -85.83 -44.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 111.678 0.251 . . . . 1.0 111.678 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 15.7 m -57.8 -46.3 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.758 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 10.1 tp -73.94 -48.03 40.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.58 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.479 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -52.39 -34.22 46.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.318 . . . . 1.0 110.382 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.5 t -62.28 -44.65 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.836 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' B' ' 47' ' ' TRP . 6.6 m0 -73.67 -42.93 60.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' B' ' 48' ' ' LEU . 3.8 mm? -84.73 171.51 12.27 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.64 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 t -146.88 159.97 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.277 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 30.3 t0 -153.32 -139.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.501 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -60.18 -176.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.595 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -155.4 19.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.196 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.593 ' HG1' HH21 ' B' ' 55' ' ' ARG . 0.0 OUTLIER -42.98 -28.7 0.28 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.034 0.445 . . . . 1.0 110.183 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.593 HH21 ' HG1' ' B' ' 54' ' ' THR . 5.0 mmp_? -59.9 -40.64 89.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.576 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' B' ' 53' ' ' ILE . 54.6 t -45.86 -31.85 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.226 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -50.95 71.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 109.874 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -49.02 73.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.912 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' B' ' 63' ' ' MET . 85.9 mt -66.87 -55.48 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.939 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.32 -36.39 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.98 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.44 -59.92 4.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 -27.46 41.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.128 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.43 ' N ' ' O ' ' B' ' 59' ' ' ILE . 27.2 ttp -58.69 -40.37 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.092 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.02 -34.76 63.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.44 -32.09 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.0 109.987 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 44.2 mmm -54.47 -48.68 71.51 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.36 -27.91 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.325 -0.55 . . . . 1.0 109.774 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.64 -27.21 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.863 0.319 . . . . 1.0 111.863 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.23 -52.77 3.56 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.713 0.292 . . . . 1.0 111.332 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' MET . 35.7 mm -63.75 -58.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.5 -0.555 . . . . 1.0 109.5 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.51 -35.75 53.78 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.287 -0.565 . . . . 1.0 109.69 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.4 -9.79 59.06 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 121.183 0.516 . . . . 1.0 110.002 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 77' ' ' ALA . 1.4 p -88.06 -49.63 6.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.22 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -49.45 77.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.752 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 pt -66.53 -14.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.142 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 80' ' ' ASP . 73.0 tt0 -94.01 -34.7 12.93 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.57 -50.0 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.83 -42.96 65.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.964 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 19.7 m -83.35 -26.9 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.683 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' B' ' 76' ' ' GLU . 22.1 t0 -81.86 -106.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.44 -54.8 2.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.85 138.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 -178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' B' ' 84' ' ' SER . . . -96.38 -37.2 4.89 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 83' ' ' GLY . 60.3 p 53.89 84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 1.0 110.584 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.83 164.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.04 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' B' ' 88' ' ' GLU . 64.6 t80 -83.64 -14.91 50.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.652 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.402 ' H ' ' HD1' ' B' ' 87' ' ' HIS . 17.9 m80 -55.23 -10.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.957 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' B' ' 86' ' ' TYR . 33.2 mt-10 -56.72 102.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.193 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.0 tp -174.7 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.61 30.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.171 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.6 170.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.473 ' O ' ' SD ' ' B' ' 96' ' ' MET . 35.2 ptt85 -86.53 -23.12 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.015 0.436 . . . . 1.0 110.192 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.45 72.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.482 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -66.28 -28.21 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.93 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.81 -40.59 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 1.0 110.747 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.1 mpt? -70.18 -44.37 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 1.0 109.982 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.64 -34.28 89.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.3 p -49.92 -32.25 14.26 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.898 0.38 . . . . 1.0 111.176 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . 0.418 ' CB ' ' SD ' ' C' ' 66' ' ' MET . . . -94.99 -52.38 4.26 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -58.28 -24.03 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.31 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.551 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 13.8 p -68.49 -60.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.188 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.551 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 13.7 mt -52.11 -44.92 64.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.76 -0.776 . . . . 1.0 109.405 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 106' ' ' ILE . 31.4 mt -74.47 -24.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.158 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -41.83 -49.88 4.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.816 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -62.59 -38.1 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 103' ' ' ILE . 22.4 mm -72.42 -30.67 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.926 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 93.4 t -65.36 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.994 0.426 . . . . 1.0 110.492 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.43 -24.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 91.9 t -87.24 -84.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 1.0 110.744 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.44 -25.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.041 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 59.9 m -59.28 -52.82 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.864 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.88 -30.87 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.158 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.8 -59.06 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.3 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.67 -40.26 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.987 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.39 -49.84 74.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.378 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 9.5 mp -71.57 -47.17 56.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.081 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.68 -20.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 1.0 110.682 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' SER . . . . . 0.452 ' HG ' ' C ' ' C' ' 49' ' ' ASP . 20.2 t -66.71 -24.66 66.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.805 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.539 ' O ' ' N ' ' B' ' 121' ' ' GLY . 0.3 OUTLIER -62.71 -15.49 53.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.949 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 92.4 t80 43.66 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.955 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.986 -1.452 . . . . 1.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' C' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -62.51 77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' C' ' 1' ' ' ALA . 54.0 t-20 -75.66 -52.51 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -66.64 -129.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -159.5 -37.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.74 56.56 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.537 ' CD2' ' N ' ' C' ' 8' ' ' THR . 54.1 p90 -75.1 -44.27 48.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 1.0 110.504 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.537 ' N ' ' CD2' ' C' ' 7' ' ' PHE . 13.4 m -53.0 -36.78 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.488 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 91.7 mtt-85 -59.07 -38.4 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.293 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -66.94 -48.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.312 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . 0.403 HD11 HG22 ' C' ' 11' ' ' ILE . 13.9 mm -64.54 -48.06 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.067 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.76 -36.5 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -61.2 -40.64 94.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.91 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' C' ' 17' ' ' SER . . . 83.42 68.72 1.41 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.03 13.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.429 ' H ' ' C ' ' C' ' 15' ' ' GLY . 34.8 t -56.32 -43.17 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -63.89 -46.11 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.542 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -66.92 -41.58 86.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.17 -17.31 65.72 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.85 -47.94 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.715 0.293 . . . . 1.0 110.414 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.73 -35.47 81.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.455 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.18 63.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.565 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -63.68 -46.27 86.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.556 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' C' ' 30' ' ' ALA . 38.6 m0 -44.22 -41.15 5.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.685 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' C' ' 26' ' ' ILE . 1.9 mp -80.18 -28.96 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.13 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' C' ' 24' ' ' ALA . 0.8 OUTLIER -108.4 41.58 1.54 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.138 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' C' ' 30' ' ' ALA . 31.0 tt0 -176.62 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.075 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.81 4.44 1.48 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.256 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' C' ' 25' ' ' TRP . . . -36.36 -34.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 1.0 111.607 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 52.1 p90 -94.38 -41.39 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.0 110.602 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.572 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 57.9 ttt-85 -64.78 -26.53 68.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.993 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.97 -61.33 2.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.725 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.25 -30.25 49.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.508 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.7 -59.12 1.54 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.064 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 p -46.97 -33.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.216 -0.579 . . . . 1.0 110.571 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.55 -58.9 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.039 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -38.91 -20.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.979 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.59 -54.33 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' C' ' 37' ' ' ALA . 20.3 mt -58.11 -34.77 70.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.098 -0.956 . . . . 1.0 109.945 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.53 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.765 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 33.1 t -85.82 -44.23 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.65 0.241 . . . . 1.0 111.65 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 15.7 m -57.73 -46.27 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.794 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 10.1 tp -73.96 -48.11 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.47 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.467 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -52.29 -34.33 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 1.0 110.397 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.26 -44.72 95.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.852 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . 0.537 ' CD1' ' N ' ' C' ' 47' ' ' TRP . 6.4 m0 -73.6 -42.84 61.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.604 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' C' ' 48' ' ' LEU . 3.8 mm? -84.76 171.48 12.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.76 0.314 . . . . 1.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . 0.452 ' C ' ' HG ' ' B' ' 118' ' ' SER . 3.9 m-20 -94.58 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 t -146.85 159.99 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.249 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 30.6 t0 -153.33 -139.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.584 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.531 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -60.14 -176.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.2 OUTLIER -155.36 19.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.167 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' THR . . . . . 0.692 ' HG1' HH21 ' C' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.58 0.3 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.119 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.692 HH21 ' HG1' ' C' ' 54' ' ' THR . 5.0 mmp_? -59.91 -40.53 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.634 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 53' ' ' ILE . 54.7 t -45.98 -31.88 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.246 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.69 -51.02 71.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 1.0 109.896 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -49.05 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.953 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.91 -55.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.942 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 28.3 t -45.29 -36.39 4.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.995 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.61 -59.74 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.49 -27.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.109 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 27.4 ttp -58.69 -40.42 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.89 -34.73 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 11.8 t -61.69 -31.98 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.019 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.512 ' O ' ' N ' ' C' ' 70' ' ' ILE . 44.3 mmm -54.47 -48.69 71.48 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . 0.412 HD13 HG21 ' C' ' 67' ' ' ILE . 89.5 mt -50.35 -27.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.365 -0.534 . . . . 1.0 109.782 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.79 -27.09 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.792 0.294 . . . . 1.0 111.792 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -98.2 -52.85 3.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.726 0.298 . . . . 1.0 111.303 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' C' ' 66' ' ' MET . 35.9 mm -63.74 -58.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.43 -35.73 52.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.151 -0.619 . . . . 1.0 109.757 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.36 -9.86 59.14 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.12 0.486 . . . . 1.0 110.008 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.403 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.4 p -88.03 -49.64 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.196 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.39 77.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.817 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 10.5 pt -66.68 -14.27 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.08 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.05 -34.58 12.95 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -50.0 72.81 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.428 -0.805 . . . . 1.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.8 -43.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.856 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.33 -26.99 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.76 -106.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -104.41 -54.81 2.46 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.808 0.299 . . . . 1.0 111.808 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.404 HG22 HD13 ' C' ' 82' ' ' ILE . 0.4 OUTLIER 64.85 138.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.894 0.378 . . . . 1.0 110.056 -178.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.418 ' O ' ' OG ' ' C' ' 84' ' ' SER . . . -96.36 -37.03 4.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' C' ' 83' ' ' GLY . 60.2 p 53.86 84.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.729 0.299 . . . . 1.0 110.521 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.85 164.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.046 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' C' ' 88' ' ' GLU . 64.2 t80 -83.65 -14.86 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.685 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.404 ' H ' ' HD1' ' C' ' 87' ' ' HIS . 18.0 m80 -55.34 -10.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.947 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' C' ' 86' ' ' TYR . 33.2 mt-10 -56.78 102.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.121 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.1 tp -174.74 -48.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.78 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.67 30.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.184 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.66 170.13 0.05 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.459 ' O ' ' SD ' ' C' ' 96' ' ' MET . 35.3 ptt85 -86.52 -23.2 25.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 110.172 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.32 72.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.467 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -66.33 -28.26 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.78 -40.55 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 1.0 110.713 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.1 mpt? -70.3 -44.38 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -64.57 -34.3 89.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.1 p -49.9 -32.28 14.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 1.0 111.22 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 66' ' ' MET . . . -94.98 -52.32 4.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -58.28 -24.14 58.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.256 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.542 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 13.9 p -68.44 -60.18 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.165 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.542 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 12.6 mt -52.17 -44.8 64.81 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.685 -0.806 . . . . 1.0 109.464 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' C' ' 106' ' ' ILE . 31.6 mt -74.44 -24.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.167 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -41.73 -49.93 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.854 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -62.62 -38.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' C' ' 103' ' ' ILE . 22.4 mm -72.55 -30.55 34.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.514 -0.474 . . . . 1.0 110.909 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 93.5 t -65.37 -77.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.03 0.443 . . . . 1.0 110.466 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.54 -23.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.488 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 91.3 t -87.27 -84.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.54 -25.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.12 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -59.33 -52.89 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.831 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.74 -31.01 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.144 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.8 -58.98 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.461 -0.496 . . . . 1.0 111.24 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -64.78 -40.27 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.859 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.17 -50.0 74.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.427 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.099 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.74 -20.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.979 0.419 . . . . 1.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 20.0 t -66.67 -24.7 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.8 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.3 OUTLIER -62.65 -15.55 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.949 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.4 t80 43.67 -88.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.951 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' H1 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 6.3 p30 -60.64 -18.85 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.565 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 5' ' ' THR . 27.3 m120 -63.94 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 3' ' ' ASN . 68.1 p 50.15 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.706 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' ASN . 53.4 p -152.31 -44.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.59 15.21 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CE2' ' OG1' ' A' ' 5' ' ' THR . 82.6 m-85 -57.84 -34.71 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 1.0 110.538 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -60.78 -37.28 81.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.657 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 84.0 mtt-85 -65.09 -38.08 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -66.23 -50.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.383 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.76 -49.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.038 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.99 -43.63 87.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.358 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 9' ' ' ARG . . . -60.73 -31.22 70.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -14.68 60.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.751 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -64.49 -42.96 97.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.12 22.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 1.0 110.558 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' GLY . 9.6 t -53.97 -43.17 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.715 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -60.97 -45.06 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -67.26 -37.22 83.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.625 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.87 -7.94 56.63 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.29 -49.94 13.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 1.0 110.23 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.77 -38.15 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.491 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.05 69.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.3 73.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.777 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.49 -61.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.768 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.23 -13.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.85 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.883 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' C ' ' H ' ' A' ' 30' ' ' ALA . 88.7 mt-10 -139.0 -41.4 0.47 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -62.29 1.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 1.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -44.0 -21.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.705 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' ' SD ' ' C' ' 96' ' ' MET . 53.4 m-85 -72.2 -49.95 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.362 0.601 . . . . 1.0 109.518 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.38 -32.12 73.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.14 -65.46 0.66 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -40.7 -32.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.895 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.67 7.73 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -49.5 -37.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -8.92 27.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.219 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -94.38 -23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.635 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.4 mp -90.2 -62.51 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.064 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.2 mp -49.24 -41.93 39.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.85 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.72 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.583 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -76.38 -38.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.792 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.0 t -47.03 -43.3 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.484 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.97 -45.42 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.151 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -64.79 -54.12 36.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -62.08 -56.61 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.767 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.79 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' ALA . 29.4 mt -102.07 -146.48 0.36 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.393 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.44 -150.17 0.46 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.98 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.452 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 17.4 t70 -161.75 -147.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.515 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -83.23 -174.57 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.233 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 55' ' ' ARG . 36.6 pt -64.51 -28.76 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.74 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ILE . 67.8 p -35.52 -28.63 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.932 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 53' ' ' ILE . 27.5 ttp85 -79.47 -49.26 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.361 0.6 . . . . 1.0 110.162 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ILE . 2.5 t -72.02 -36.01 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.934 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' CD1' ' HE ' ' C' ' 55' ' ' ARG . 5.2 tp -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.2 -44.78 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.837 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mt -76.94 -47.18 28.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.341 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 61' ' ' SER . 6.1 p -46.8 -55.71 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.714 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 60' ' ' SER . 38.8 p -63.53 -56.5 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.407 . . . . 1.0 110.362 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.412 ' N ' ' OG ' ' A' ' 61' ' ' SER . 54.7 t -50.73 -37.62 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.158 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 63' ' ' MET . 15.7 tmm? -68.79 -44.52 73.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.765 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 mt -55.91 -51.86 66.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.724 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 p -63.09 -30.91 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.33 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -39.5 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.079 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.48 -39.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -87.58 -33.61 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.971 -0.292 . . . . 1.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.5 mt-10 -88.63 -81.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.6 -0.44 . . . . 1.0 110.457 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' SER . 13.6 mt -38.6 -51.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.102 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.3 -37.11 34.8 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 119.39 -0.924 . . . . 1.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.518 ' ND2' ' HG ' ' C' ' 84' ' ' SER . 26.8 t-20 -79.58 -13.97 59.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.181 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.7 t -90.09 -56.11 3.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.758 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.1 tt -50.95 -37.0 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.704 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -86.17 -23.99 26.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.364 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.07 -53.13 61.74 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.423 -0.511 . . . . 1.0 109.708 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.01 -33.3 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.54 -24.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.826 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -80.47 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.496 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.541 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 76.0 mtt85 -104.02 -58.96 1.8 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.405 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER 164.85 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.749 0.656 . . . . 1.0 109.575 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.531 ' H ' ' CG1' ' A' ' 82' ' ' ILE . . . 110.84 6.35 26.56 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 114.937 -1.029 . . . . 1.0 110.588 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -152.61 91.81 1.61 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' TYR . 10.6 pt-20 -92.81 -43.91 8.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.869 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 55.9 m-85 -86.1 -25.32 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.814 0.34 . . . . 1.0 111.296 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.527 ' CG ' ' OG ' ' A' ' 84' ' ' SER . 55.2 m80 -55.87 -62.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.527 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.71 92.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.681 0.277 . . . . 1.0 111.006 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -172.0 -53.46 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.688 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 91' ' ' GLY . 13.9 t -69.31 23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.44 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.87 171.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -89.63 -19.69 24.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.6 -51.59 58.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.778 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.92 69.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.306 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' OG ' ' A' ' 98' ' ' SER . 50.9 m-20 -47.36 -35.09 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.554 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' B' ' 31' ' ' PHE . 23.8 mtt -78.85 -46.67 18.14 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.442 -0.503 . . . . 1.0 110.181 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.07 -35.71 92.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.325 -1.11 . . . . 1.0 110.325 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 23.4 p -54.52 -26.87 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 1.0 111.281 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.97 -51.13 5.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -21.95 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.983 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 t -67.43 -65.97 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.798 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.24 -46.42 72.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.665 0.745 . . . . 1.0 109.718 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.4 mp -67.44 -20.23 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.233 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 101' ' ' VAL . . . -45.41 -49.66 13.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.762 0.315 . . . . 1.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 1.0 110.004 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 106' ' ' ILE . 25.6 mm -63.31 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.024 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 109' ' ' VAL . 87.5 t -67.47 -73.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.62 -24.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.412 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 107' ' ' VAL . 86.0 t -92.98 -87.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 1.0 110.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.11 -35.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.307 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 12.0 m -59.68 -53.52 57.01 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.485 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.428 ' O ' ' CD1' ' A' ' 112' ' ' TRP . 15.2 t-105 -57.55 -28.21 63.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.79 -57.53 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 tp -65.78 -46.74 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.443 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.88 -36.76 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.03 -49.08 39.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.744 . . . . 1.0 110.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -63.89 -34.29 77.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 t -59.22 -37.42 77.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.513 ' O ' ' N ' ' A' ' 121' ' ' GLY . 21.6 m170 -64.89 -44.26 90.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.36 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.643 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.986 -1.452 . . . . 1.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -60.51 -18.87 54.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 5' ' ' THR . 27.3 m120 -63.96 -29.47 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 3' ' ' ASN . 67.7 p 50.23 -86.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 3' ' ' ASN . 52.5 p -152.35 -44.58 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.57 15.19 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.409 ' CE2' ' OG1' ' B' ' 5' ' ' THR . 83.0 m-85 -57.81 -34.65 69.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 1.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -60.91 -37.22 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 83.8 mtt-85 -65.05 -38.16 89.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 23.4 mt -66.2 -50.15 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.394 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.85 -49.26 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.95 -43.71 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.33 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 9' ' ' ARG . . . -60.64 -31.25 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.593 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -14.72 60.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' B' ' 17' ' ' SER . . . -64.42 -42.94 97.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -80.36 22.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 1.0 110.486 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.42 ' H ' ' C ' ' B' ' 15' ' ' GLY . 9.3 t -54.1 -42.92 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.737 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.1 m-90 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.644 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -67.39 -37.16 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.647 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.94 -7.87 56.85 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.3 -49.88 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 1.0 110.22 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.9 -38.02 73.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.528 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.24 73.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -67.41 -61.37 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.823 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.36 -13.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.83 -63.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.921 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' B' ' 30' ' ' ALA . 88.5 mt-10 -139.0 -41.58 0.47 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.029 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -62.42 1.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 1.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -44.02 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.65 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 53.7 m-85 -72.14 -49.96 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.325 0.583 . . . . 1.0 109.474 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.43 -32.01 73.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.116 -0.947 . . . . 1.0 109.811 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.2 -65.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -40.55 -32.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.021 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -55.59 7.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.49 -37.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.104 -0.332 . . . . 1.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -9.02 27.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -94.41 -22.84 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.731 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' B' ' 39' ' ' LEU . 9.4 mp -90.24 -62.54 1.44 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.068 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 9.2 mp -49.26 -41.94 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.84 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.7 76.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.612 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.45 -38.55 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.8 t -46.98 -43.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.508 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.93 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.979 0.419 . . . . 1.0 110.205 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -64.71 -54.27 34.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.94 -56.69 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.781 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.71 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' B' ' 45' ' ' ALA . 29.6 mt -102.16 -146.56 0.36 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.329 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.34 -150.22 0.46 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.91 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.443 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 17.5 t70 -161.8 -147.27 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.52 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -83.16 -174.62 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.304 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' B' ' 56' ' ' VAL . 36.9 pt -64.38 -28.83 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.776 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.418 ' C ' ' O ' ' B' ' 53' ' ' ILE . 69.6 p -35.47 -28.66 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.942 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 53' ' ' ILE . 27.7 ttp85 -79.61 -49.13 12.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.095 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 53' ' ' ILE . 2.5 t -72.03 -36.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.902 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.406 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 5.1 tp -47.99 -47.69 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -48.21 -44.91 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.804 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mt -76.85 -47.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.599 ' HG ' ' H ' ' B' ' 61' ' ' SER . 6.0 p -46.84 -55.71 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.715 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.599 ' H ' ' HG ' ' B' ' 60' ' ' SER . 39.0 p -63.53 -56.47 15.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 1.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.403 ' N ' ' OG ' ' B' ' 61' ' ' SER . 54.6 t -50.7 -37.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' B' ' 63' ' ' MET . 15.7 tmm? -68.81 -44.45 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.769 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.95 -51.94 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.682 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' B' ' 69' ' ' GLU . 6.4 p -63.03 -30.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.294 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -39.58 94.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.015 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.5 -39.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.65 -33.52 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.643 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' ASN . 31.6 mt-10 -88.79 -81.35 0.27 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 73' ' ' SER . 13.6 mt -38.55 -51.45 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.058 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.18 -37.23 33.83 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 119.423 -0.911 . . . . 1.0 109.775 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.7 t-20 -79.57 -13.97 59.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.035 0.445 . . . . 1.0 110.21 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 70' ' ' ILE . 2.7 t -90.02 -56.05 3.38 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.742 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.0 -36.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.4 -0.818 . . . . 1.0 109.694 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.32 -23.9 26.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.368 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.08 -53.24 60.53 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.95 -33.33 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.5 -24.26 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.825 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -80.47 -110.04 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.412 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.539 ' O ' ' CG2' ' B' ' 82' ' ' ILE . 75.9 mtt85 -104.0 -58.97 1.8 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.359 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.539 ' CG2' ' O ' ' B' ' 81' ' ' ARG . 0.6 OUTLIER 164.8 -90.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 121.412 0.625 . . . . 1.0 109.589 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.52 ' H ' ' CG1' ' B' ' 82' ' ' ILE . . . 110.83 6.32 26.6 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.657 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.529 ' OG ' ' CG ' ' B' ' 87' ' ' HIS . 0.2 OUTLIER -152.51 91.72 1.61 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.711 -0.477 . . . . 1.0 109.711 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' B' ' 86' ' ' TYR . 10.6 pt-20 -92.8 -43.79 8.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.909 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.436 ' N ' ' CG ' ' B' ' 85' ' ' GLU . 56.0 m-85 -86.12 -25.44 25.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.777 0.323 . . . . 1.0 111.256 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.529 ' CG ' ' OG ' ' B' ' 84' ' ' SER . 55.8 m80 -55.75 -62.22 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.486 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -39.75 92.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.762 0.315 . . . . 1.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.2 OUTLIER -171.98 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.745 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 14.0 t -69.3 23.35 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.404 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.85 171.62 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.65 -19.67 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.069 0.462 . . . . 1.0 109.878 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.62 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.868 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.93 69.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.212 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.439 ' O ' ' OG ' ' B' ' 98' ' ' SER . 51.3 m-20 -47.37 -35.1 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.527 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.583 ' SD ' ' CD1' ' C' ' 31' ' ' PHE . 24.3 mtt -78.79 -46.75 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.474 -0.491 . . . . 1.0 110.22 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.03 -35.71 92.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.273 -1.131 . . . . 1.0 110.273 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 23.1 p -54.64 -26.9 35.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.52 0.2 . . . . 1.0 111.152 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.95 -51.04 5.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.643 -0.503 . . . . 1.0 109.643 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.0 65.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' B' ' 97' ' ' GLY . 6.5 t -67.41 -65.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 120.984 -0.286 . . . . 1.0 110.75 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.2 -46.48 72.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.674 0.749 . . . . 1.0 109.705 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' B' ' 103' ' ' ILE . 1.4 mp -67.47 -20.28 26.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.155 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 101' ' ' VAL . . . -45.42 -49.61 13.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.031 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.9 -42.43 94.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.994 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.442 HD12 HG23 ' B' ' 106' ' ' ILE . 25.7 mm -63.2 -30.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.029 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 109' ' ' VAL . 87.3 t -67.4 -72.91 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.798 -0.445 . . . . 1.0 109.798 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.72 -24.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.597 -0.729 . . . . 1.0 111.477 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 107' ' ' VAL . 86.1 t -92.95 -87.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 1.0 110.525 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 mt -45.2 -35.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.288 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 11.8 m -59.65 -53.6 56.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' B' ' 112' ' ' TRP . 15.3 t-105 -57.52 -28.17 63.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.76 -57.62 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.075 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.69 -46.74 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.462 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.93 -36.78 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.864 -0.791 . . . . 1.0 108.864 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.09 -48.98 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.359 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -64.0 -34.17 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -59.26 -37.51 77.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.642 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' B' ' 121' ' ' GLY . 21.6 m170 -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.639 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.43 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 118.057 -1.413 . . . . 1.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.45 ' H1 ' ' H ' ' C' ' 2' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.45 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 6.3 p30 -60.57 -18.9 55.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.595 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' C' ' 5' ' ' THR . 27.3 m120 -63.9 -29.51 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.518 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 3' ' ' ASN . 67.7 p 50.09 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.527 ' N ' ' O ' ' C' ' 3' ' ' ASN . 52.8 p -152.3 -44.57 0.1 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.44 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.52 15.22 0.03 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.405 ' CE2' ' OG1' ' C' ' 5' ' ' THR . 82.6 m-85 -57.9 -34.68 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 1.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -60.84 -37.2 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.653 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 84.1 mtt-85 -65.08 -38.14 89.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 23.9 mt -66.31 -50.01 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -58.86 -49.36 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.973 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -65.93 -43.74 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.313 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -60.64 -31.24 70.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.37 -14.76 60.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.706 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' C' ' 17' ' ' SER . . . -64.41 -43.01 97.38 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.2 22.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 1.0 110.597 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.405 ' H ' ' C ' ' C' ' 15' ' ' GLY . 9.7 t -53.91 -43.19 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.705 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -60.99 -44.99 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -67.4 -37.16 82.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.86 56.66 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.32 -49.92 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 1.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.85 -38.06 73.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.496 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.05 -28.12 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.576 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.7 -34.31 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.726 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -67.55 -61.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.719 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.33 -13.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.97 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.917 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' C' ' 30' ' ' ALA . 88.4 mt-10 -139.03 -41.39 0.47 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.873 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -62.31 1.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 1.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -44.0 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.636 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.583 ' CD1' ' SD ' ' B' ' 96' ' ' MET . 53.2 m-85 -72.22 -50.01 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.372 0.606 . . . . 1.0 109.473 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.44 -32.01 73.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.062 -0.972 . . . . 1.0 109.827 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.19 -65.35 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -40.79 -32.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.886 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.02 -55.67 7.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -49.4 -37.44 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.095 -0.335 . . . . 1.0 110.095 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.14 -8.99 27.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.205 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.39 -22.92 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' C' ' 39' ' ' LEU . 9.4 mp -90.14 -62.76 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.073 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 9.2 mp -48.94 -42.1 36.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.854 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.62 76.61 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.617 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.4 -38.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.06 -43.2 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.448 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.431 HG22 HD13 ' C' ' 44' ' ' ILE . 14.4 mm -62.92 -45.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 1.0 110.189 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -64.66 -54.29 34.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.02 -56.68 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.743 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -54.65 -53.7 51.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.506 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' C' ' 45' ' ' ALA . 29.5 mt -102.27 -146.49 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.5 -150.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.526 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 m -97.91 -179.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 17.3 t70 -161.88 -147.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.516 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -83.23 -174.57 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.311 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' C' ' 56' ' ' VAL . 36.4 pt -64.44 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.685 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' C' ' 53' ' ' ILE . 67.8 p -35.43 -28.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.9 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' C' ' 53' ' ' ILE . 27.7 ttp85 -79.46 -49.27 12.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.3 0.571 . . . . 1.0 110.176 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' C' ' 53' ' ' ILE . 2.5 t -71.93 -36.11 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.963 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . 0.421 ' CD1' ' HE ' ' B' ' 55' ' ' ARG . 5.1 tp -47.89 -47.77 31.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.924 -0.399 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tp -48.05 -45.09 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.774 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 48.8 mt -76.75 -47.31 28.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.407 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' C' ' 61' ' ' SER . 5.9 p -46.69 -55.69 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.745 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' SER . . . . . 0.444 ' N ' ' OG ' ' C' ' 60' ' ' SER . 40.1 p -63.59 -56.4 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 1.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.41 ' N ' ' OG ' ' C' ' 61' ' ' SER . 54.7 t -50.71 -37.77 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.104 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' C' ' 63' ' ' MET . 15.7 tmm? -68.66 -44.57 73.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.83 -51.94 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.74 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.465 ' CG2' ' OE2' ' C' ' 69' ' ' GLU . 6.4 p -63.05 -30.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.39 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -39.5 94.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.116 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.38 -39.76 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 37.3 t -87.6 -33.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.673 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' C' ' 72' ' ' ASN . 31.5 mt-10 -88.72 -81.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.468 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' C' ' 73' ' ' SER . 13.5 mt -38.57 -51.42 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.992 -0.283 . . . . 1.0 111.08 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.3 -37.05 34.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 119.421 -0.912 . . . . 1.0 109.812 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.7 t-20 -79.66 -13.99 59.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.145 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.461 ' N ' ' O ' ' C' ' 70' ' ' ILE . 2.7 t -90.0 -56.13 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.553 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -51.72 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 7.1 tt -50.87 -37.01 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.741 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.29 -23.84 26.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.402 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.1 -53.18 61.19 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.452 -0.499 . . . . 1.0 109.727 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.02 -33.25 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.894 -0.78 . . . . 1.0 108.894 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -24.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.834 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.48 -110.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.441 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.538 ' O ' ' CG2' ' C' ' 82' ' ' ILE . 75.9 mtt85 -103.91 -59.0 1.79 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.39 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' C' ' 81' ' ' ARG . 0.6 OUTLIER 164.78 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.443 0.64 . . . . 1.0 109.627 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.529 ' H ' ' CG1' ' C' ' 82' ' ' ILE . . . 110.92 6.24 26.5 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.613 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.522 ' OG ' ' CG ' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -152.48 91.83 1.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' C' ' 86' ' ' TYR . 10.7 pt-20 -92.86 -43.87 8.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.904 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' C' ' 85' ' ' GLU . 56.0 m-85 -86.13 -25.3 25.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.78 0.324 . . . . 1.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.522 ' CG ' ' OG ' ' C' ' 84' ' ' SER . 55.3 m80 -55.85 -62.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.593 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.9 92.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 1.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.2 OUTLIER -171.97 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.783 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' C' ' 91' ' ' GLY . 14.0 t -69.38 23.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.404 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.82 171.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.669 -0.973 . . . . 1.0 110.669 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.59 -19.7 24.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.164 0.507 . . . . 1.0 109.935 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.54 59.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.838 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -67.96 -29.97 69.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.222 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . 0.427 ' O ' ' OG ' ' C' ' 98' ' ' SER . 51.2 m-20 -47.23 -35.18 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.601 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD1' ' A' ' 31' ' ' PHE . 24.1 mtt -78.72 -46.8 18.18 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.197 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -63.93 -35.84 92.52 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 1.0 110.335 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 23.4 p -54.49 -26.88 34.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.548 0.213 . . . . 1.0 111.223 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.08 -22.04 65.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.982 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' C' ' 97' ' ' GLY . 6.6 t -67.33 -65.91 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.791 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.28 -46.42 72.71 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.638 0.732 . . . . 1.0 109.73 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' C' ' 103' ' ' ILE . 1.4 mp -67.52 -20.06 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.398 -0.819 . . . . 1.0 110.254 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -45.63 -49.58 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.886 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.92 -42.43 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.0 109.942 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.413 HG22 HD11 ' C' ' 106' ' ' ILE . 25.6 mm -63.21 -30.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.995 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 109' ' ' VAL . 88.7 t -67.3 -73.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.53 -24.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.49 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' C' ' 107' ' ' VAL . 86.4 t -92.93 -87.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.818 0.342 . . . . 1.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.13 -35.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.119 -0.492 . . . . 1.0 111.309 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 12.0 m -59.63 -53.57 56.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.581 -0.447 . . . . 1.0 110.504 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . 0.432 ' O ' ' CD1' ' C' ' 112' ' ' TRP . 15.4 t-105 -57.52 -28.23 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.8 -57.61 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.025 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 tp -65.72 -46.76 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.86 -36.79 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 24.3 tp -71.96 -49.13 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -63.91 -34.36 77.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.44 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -59.17 -37.49 77.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 1.0 110.674 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' C' ' 121' ' ' GLY . 21.6 m170 -64.83 -44.34 90.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.651 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.47 -86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -159.6 99.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' THR . 52.2 t-20 -169.32 137.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -169.14 79.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.526 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -165.94 -35.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.87 50.01 0.34 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' CD2' ' N ' ' A' ' 8' ' ' THR . 49.2 p90 -74.3 -45.6 46.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 1.0 110.69 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.493 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 7.7 m -51.81 -36.74 48.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.455 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 12.6 mmt85 -55.31 -37.36 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.94 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.78 -45.91 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.416 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.506 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.6 mp -66.5 -48.65 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' O ' ' CE2' ' A' ' 16' ' ' TYR . 23.8 mmtp -65.74 -37.96 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.424 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 9' ' ' ARG . . . -60.66 -31.1 70.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -73.09 -14.45 61.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -75.53 18.8 2.72 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' CE2' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-85 -144.72 11.78 1.44 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.844 0.354 . . . . 1.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -53.4 -43.1 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -53.51 -44.39 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.77 -40.83 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.17 -22.18 74.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.024 -0.83 . . . . 1.0 111.024 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.57 -45.26 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.897 0.38 . . . . 1.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -68.17 -37.13 80.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.64 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.53 64.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' N ' ' CD1' ' A' ' 25' ' ' TRP . 4.5 m0 -64.35 -56.47 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.581 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -57.89 -20.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.232 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -107.02 42.84 1.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 168.98 -72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.682 0.614 . . . . 1.0 109.591 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 4.74 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.01 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -38.96 -32.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.444 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 21.0 t80 -91.33 -46.09 8.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 1.0 110.77 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.64 -25.38 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.029 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.4 tt0 -59.86 -59.03 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.371 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -95.01 -48.05 2.53 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.3 t -56.28 -40.49 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 122.749 -0.265 . . . . 1.0 111.112 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.15 -71.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 1.0 110.513 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 4.4 p -39.97 -18.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.712 -0.676 . . . . 1.0 111.087 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -87.3 -55.95 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.643 -0.873 . . . . 1.0 108.643 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.8 tp -66.82 -34.9 78.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.623 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.28 63.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.982 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 37.3 t -89.25 -37.72 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.659 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.44 -47.88 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.79 -47.14 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -55.07 -36.59 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.6 m -62.68 -46.0 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.986 0.422 . . . . 1.0 110.01 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.68 -26.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.2 mt -139.68 -67.95 0.43 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ALA . 15.1 t0 64.9 87.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.959 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -153.22 14.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.458 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -49.9 152.94 1.43 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.27 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.13 -65.34 1.02 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.617 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.3 m -46.46 -45.69 18.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.9 -47.39 71.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.58 -45.13 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.396 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.03 -50.66 35.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.377 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.17 -51.47 53.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' MET . 15.1 mm -63.12 -56.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.206 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.9 -52.54 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -64.85 -62.96 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.23 -30.43 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.975 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' ILE . 24.7 ttm -63.37 -34.41 77.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.383 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.04 -48.15 69.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.025 0.441 . . . . 1.0 109.835 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.28 -33.77 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.397 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' GLU . 26.8 mtt -61.65 -45.42 94.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mm -45.1 -24.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.274 -0.571 . . . . 1.0 110.056 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.91 -31.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 1.0 110.732 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 66' ' ' MET . 27.6 mt-10 -93.44 -55.34 3.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.526 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 73' ' ' SER . 49.1 mt -65.71 -58.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.518 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.02 -35.68 47.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.094 -0.642 . . . . 1.0 109.708 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.1 t-20 -71.31 -13.83 62.01 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -90.64 -53.07 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.14 -0.936 . . . . 1.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.88 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.469 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.72 -39.75 32.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.573 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 80' ' ' ASP . 18.5 tt0 -82.55 -24.51 33.98 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.313 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.75 -52.25 66.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 t -53.17 -32.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 t -85.83 -25.03 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.103 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.9 m-20 -77.84 -102.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.441 0.534 . . . . 1.0 112.441 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 82' ' ' ILE . 82.2 mtt-85 -101.55 -10.1 20.41 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.128 0.418 . . . . 1.0 112.128 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.7 tt 34.62 98.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.002 0.43 . . . . 1.0 111.493 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.61 69.34 0.39 Allowed Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -166.9 30.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 1.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.48 -68.96 0.74 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.787 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -47.68 -32.36 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.739 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.64 -10.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -132.0 94.12 3.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.3 tp -106.27 -23.35 12.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.511 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.7 p -70.68 39.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.764 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.12 167.6 0.06 OUTLIER Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 96' ' ' MET . 28.6 ptt-85 -86.12 -21.71 27.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.077 0.465 . . . . 1.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.86 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' GLY . 68.4 tttt -66.77 -32.66 74.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -41.48 -36.72 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.834 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.3 mpt? -73.53 -44.6 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -65.12 -37.3 93.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -50.12 -31.5 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.617 0.246 . . . . 1.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -51.1 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -58.89 -24.35 62.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.789 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.545 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 12.5 p -73.12 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.227 0.455 . . . . 1.0 112.227 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.545 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 6.3 tp -59.15 -44.14 92.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 1.0 111.09 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 107' ' ' VAL . 2.0 pp -77.01 -19.26 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.906 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 108' ' ' ALA . . . -57.4 -41.2 79.85 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.256 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.0 mt -62.12 -46.84 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.577 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.406 HD11 ' H ' ' A' ' 106' ' ' ILE . 5.2 mp -75.87 -30.03 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.85 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 109' ' ' VAL . 45.3 t -83.24 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.637 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' ALA . . . -27.69 -36.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.435 0.459 . . . . 1.0 112.005 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.617 ' CG2' ' H ' ' A' ' 110' ' ' ILE . 30.3 m -81.11 -66.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.795 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.617 ' H ' ' CG2' ' A' ' 109' ' ' VAL . 22.8 mt -51.35 -24.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 120.64 0.257 . . . . 1.0 110.321 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.8 m -59.54 -53.85 53.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -68.29 -23.71 64.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.059 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.66 -58.31 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.219 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 1.3 mp -67.18 -41.18 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.36 -36.06 68.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 9.3 tp -71.68 -40.16 69.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.97 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -53.22 -20.7 4.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.03 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 120' ' ' PHE . 3.2 m -62.22 -28.07 69.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.445 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.617 ' HD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.03 -0.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.68 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.617 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 76.8 t80 -52.79 166.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.539 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.512 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.982 -1.455 . . . . 1.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -159.65 99.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' B' ' 4' ' ' THR . 52.3 t-20 -169.25 137.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.603 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 0.1 OUTLIER -169.23 79.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.556 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -165.95 -35.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.51 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.91 50.12 0.34 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' B' ' 8' ' ' THR . 49.1 p90 -74.36 -45.56 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 1.0 110.681 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.497 ' N ' ' CD2' ' B' ' 7' ' ' PHE . 7.8 m -51.88 -36.63 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.453 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 12.6 mmt85 -55.44 -37.18 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.013 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.96 -45.8 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.321 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.6 mp -66.54 -48.6 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.527 ' O ' ' CE2' ' B' ' 16' ' ' TYR . 23.8 mmtp -65.77 -37.86 87.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' B' ' 9' ' ' ARG . . . -60.67 -31.15 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.979 0.419 . . . . 1.0 110.495 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -73.05 -14.53 61.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.635 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.518 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -75.52 18.8 2.71 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' B' ' 12' ' ' LYS . 7.1 m-85 -144.73 11.93 1.45 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.762 0.315 . . . . 1.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.1 p -53.61 -42.92 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.668 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -53.58 -44.41 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.618 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.72 -40.89 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.09 -22.22 74.12 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.79 -44.97 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 1.0 110.572 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -68.37 -37.09 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.677 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.64 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.58 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.659 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.47 ' N ' ' CD1' ' B' ' 25' ' ' TRP . 4.5 m0 -64.39 -56.4 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.617 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.85 -20.82 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.24 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -107.01 42.9 1.22 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.361 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 168.97 -72.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.622 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.13 4.85 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.978 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.438 ' O ' ' OE2' ' B' ' 34' ' ' GLU . . . -38.95 -32.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 1.0 111.462 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' B' ' 31' ' ' PHE . 20.8 t80 -91.31 -46.16 8.2 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.42 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.033 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' B' ' 35' ' ' GLY . 55.4 tt0 -59.86 -58.99 6.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -41.29 -23.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -95.06 -48.06 2.51 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.39 -40.3 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.575 0.226 . . . . 1.0 111.136 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.17 -71.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 1.0 110.47 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 4.4 p -39.8 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.175 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.0 tp -87.41 -55.8 3.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tp -66.82 -34.83 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.255 -0.884 . . . . 1.0 110.647 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.45 -24.24 62.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.956 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 37.2 t -89.23 -37.62 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.683 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -55.48 -47.85 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.78 -47.16 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.466 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 49' ' ' ASP . . . -55.12 -36.51 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 48' ' ' LEU . 68.6 m -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.941 0.4 . . . . 1.0 110.007 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -40.65 -26.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 46' ' ' CYS . 12.2 mt -139.69 -67.85 0.43 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 45' ' ' ALA . 14.9 t0 64.67 87.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.013 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -153.35 14.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -49.89 153.01 1.41 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.25 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.24 -65.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.385 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.64 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 54.7 m -46.4 -45.79 18.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.85 -47.37 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -45.07 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -48.97 -50.7 34.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.936 0.398 . . . . 1.0 110.397 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.11 -51.42 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 63' ' ' MET . 15.0 mm -63.21 -56.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.8 t -48.88 -52.56 23.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.74 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -65.06 -62.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.007 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.29 -30.34 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.915 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' B' ' 59' ' ' ILE . 24.7 ttm -63.55 -34.34 77.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.37 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.06 -48.12 69.23 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.25 -33.88 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.322 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.49 ' O ' ' N ' ' B' ' 69' ' ' GLU . 26.7 mtt -61.74 -45.35 94.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.8 mm -45.13 -24.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.923 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 12.0 t -90.92 -31.68 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.711 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 66' ' ' MET . 27.6 mt-10 -93.4 -55.22 3.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.567 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 73' ' ' SER . 49.0 mt -65.88 -58.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.19 -35.61 49.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.683 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 2.1 t-20 -71.33 -13.74 61.97 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.368 0.604 . . . . 1.0 109.496 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.52 ' N ' ' O ' ' B' ' 70' ' ' ILE . 3.5 t -90.76 -53.01 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.502 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.81 66.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.534 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.83 -39.64 32.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.766 -0.774 . . . . 1.0 109.553 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 80' ' ' ASP . 18.3 tt0 -82.53 -24.56 34.01 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.315 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.21 66.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.6 t -53.16 -32.23 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.681 -0.69 . . . . 1.0 109.299 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.87 -24.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.154 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 76' ' ' GLU . 64.3 m-20 -78.0 -101.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.41 0.522 . . . . 1.0 112.41 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 82' ' ' ILE . 82.4 mtt-85 -101.57 -10.09 20.4 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.5 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 121.102 0.477 . . . . 1.0 111.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.53 69.25 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -166.91 30.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 1.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -89.57 -68.93 0.75 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.414 ' C ' ' H ' ' B' ' 88' ' ' GLU . 18.3 p90 -47.61 -32.37 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.59 -10.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.734 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' B' ' 86' ' ' TYR . 49.8 tt0 -132.04 94.22 3.43 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.497 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.1 tp -106.05 -23.79 12.54 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -70.41 39.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.27 167.69 0.07 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' B' ' 96' ' ' MET . 28.6 ptt-85 -86.29 -21.7 27.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.036 0.446 . . . . 1.0 109.875 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.41 -50.9 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.629 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 97' ' ' GLY . 68.5 tttt -66.73 -32.68 74.14 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.861 -0.335 . . . . 1.0 110.686 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -41.38 -36.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.932 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.3 mpt? -73.57 -44.58 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.806 -0.442 . . . . 1.0 109.806 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' B' ' 94' ' ' LYS . . . -65.13 -37.4 94.07 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 59.7 m -50.04 -31.41 12.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.64 0.257 . . . . 1.0 111.59 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.87 -51.14 4.82 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -59.04 -24.14 62.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.817 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.544 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 12.4 p -73.29 -60.24 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.544 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 7.3 tp -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.995 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.9 pp -76.41 -19.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.0 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -57.31 -41.27 79.55 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.216 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.95 -47.12 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.582 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.425 HD11 ' H ' ' B' ' 106' ' ' ILE . 5.0 mp -75.64 -30.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.889 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 109' ' ' VAL . 44.9 t -83.18 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.649 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -27.75 -36.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.498 0.499 . . . . 1.0 111.973 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.618 ' CG2' ' H ' ' B' ' 110' ' ' ILE . 30.2 m -81.22 -66.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.618 ' H ' ' CG2' ' B' ' 109' ' ' VAL . 23.0 mt -51.38 -24.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 1.0 110.328 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.5 m -59.5 -54.02 51.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.786 0.327 . . . . 1.0 110.73 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -68.29 -23.73 64.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.044 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.61 -58.26 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.241 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.3 mp -67.28 -41.18 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.764 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.41 -35.99 68.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 119' ' ' HIS . 9.4 tp -71.76 -40.09 69.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.909 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -53.29 -20.59 4.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.073 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 120' ' ' PHE . 3.2 m -62.36 -28.01 69.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.443 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.621 ' HD1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.91 -0.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.771 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.621 ' N ' ' HD1' ' B' ' 119' ' ' HIS . 76.8 t80 -52.75 166.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.512 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.976 -1.458 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -159.63 98.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' C' ' 4' ' ' THR . 52.3 t-20 -169.35 137.57 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.558 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.422 ' N ' ' OD1' ' C' ' 3' ' ' ASN . 0.1 OUTLIER -169.14 79.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -165.95 -35.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.82 50.02 0.34 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.501 ' CD2' ' N ' ' C' ' 8' ' ' THR . 49.6 p90 -74.29 -45.63 46.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 1.0 110.666 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.501 ' N ' ' CD2' ' C' ' 7' ' ' PHE . 7.6 m -51.84 -36.63 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.474 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 12.7 mmt85 -55.41 -37.32 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.93 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.9 -45.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.342 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' C' ' 11' ' ' ILE . 1.6 mp -66.6 -48.55 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . 0.516 ' O ' ' CE2' ' C' ' 16' ' ' TYR . 23.8 mmtp -65.75 -38.01 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.38 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -60.63 -31.09 70.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.993 0.425 . . . . 1.0 110.553 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -73.06 -14.53 61.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.595 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -75.48 18.82 2.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 15' ' ' GLY . 7.2 m-85 -144.73 11.79 1.44 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.768 0.318 . . . . 1.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -53.47 -43.05 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -53.55 -44.35 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.644 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.73 -40.85 79.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.696 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.16 -22.16 74.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.83 -44.88 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 1.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -68.38 -37.09 80.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.23 -44.51 64.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 4.5 m0 -64.4 -56.35 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.02 -20.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.254 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -107.0 42.81 1.24 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 169.05 -72.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.596 0.56 . . . . 1.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.14 4.77 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.992 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.436 ' O ' ' OE2' ' C' ' 34' ' ' GLU . . . -38.84 -32.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 111.471 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' C' ' 31' ' ' PHE . 20.6 t80 -91.4 -46.06 8.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.929 0.395 . . . . 1.0 110.725 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.44 67.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.1 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' C' ' 35' ' ' GLY . 55.4 tt0 -59.9 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.835 -0.802 . . . . 1.0 108.835 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' C' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.407 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.96 -48.1 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 76.0 t -56.23 -40.41 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 122.795 -0.238 . . . . 1.0 111.155 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.19 -71.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 1.0 110.525 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.448 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 4.4 p -39.84 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.118 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.7 tp -87.23 -56.0 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.627 -0.879 . . . . 1.0 108.627 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.2 tp -66.94 -34.74 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.64 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -24.23 62.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.943 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 37.1 t -89.26 -37.75 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.36 -47.87 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.79 -47.14 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' C' ' 49' ' ' ASP . . . -55.14 -36.47 65.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.653 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' C' ' 48' ' ' LEU . 68.5 m -62.73 -45.94 90.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 1.0 109.989 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.72 -26.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' C' ' 46' ' ' CYS . 12.2 mt -139.64 -67.92 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' C' ' 45' ' ' ALA . 14.9 t0 64.86 87.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.931 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -153.22 14.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.491 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -49.75 152.93 1.35 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.31 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.14 -65.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.41 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.83 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.71 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 55.1 m -46.47 -45.72 18.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.452 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.84 -47.56 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.45 -45.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.04 -50.64 35.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.884 0.373 . . . . 1.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.25 -51.32 55.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' C' ' 63' ' ' MET . 15.0 mm -63.22 -56.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.216 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.86 -52.65 23.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -64.92 -62.84 1.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.29 -30.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.96 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.459 ' N ' ' O ' ' C' ' 59' ' ' ILE . 24.6 ttm -63.64 -34.24 77.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.34 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -48.18 69.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.031 0.444 . . . . 1.0 109.864 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.31 -33.88 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.378 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.494 ' O ' ' N ' ' C' ' 69' ' ' GLU . 26.9 mtt -61.61 -45.35 94.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.14 -24.55 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.393 -0.523 . . . . 1.0 109.95 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.94 -31.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 66' ' ' MET . 27.6 mt-10 -93.48 -55.32 3.33 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.5 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' C' ' 73' ' ' SER . 49.4 mt -65.79 -58.17 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.51 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.05 -35.73 48.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.733 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' C' ' 72' ' ' ASN . 2.1 t-20 -71.25 -13.83 62.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.316 0.579 . . . . 1.0 109.453 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.6 t -90.64 -53.19 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.472 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.93 66.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.71 -39.57 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.619 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' C' ' 80' ' ' ASP . 18.6 tt0 -82.65 -24.57 33.71 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.854 -0.338 . . . . 1.0 110.271 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.8 -52.16 66.61 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 t -53.2 -32.31 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.245 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.86 -24.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.551 -0.75 . . . . 1.0 111.118 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' C' ' 76' ' ' GLU . 64.1 m-20 -77.85 -101.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.437 0.532 . . . . 1.0 112.437 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' C' ' 82' ' ' ILE . 82.3 mtt-85 -101.57 -10.12 20.38 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 34.53 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.064 0.459 . . . . 1.0 111.553 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.56 69.27 0.39 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 m -166.87 30.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 1.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -89.45 -68.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.76 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' C' ' 88' ' ' GLU . 18.0 p90 -47.68 -32.41 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.706 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -56.55 -10.32 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' C' ' 86' ' ' TYR . 50.1 tt0 -132.0 94.2 3.44 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.522 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.1 tp -105.95 -23.86 12.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 21.4 p -70.49 39.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 56.01 167.57 0.06 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.686 -0.966 . . . . 1.0 110.686 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' C' ' 96' ' ' MET . 28.6 ptt-85 -86.09 -21.72 27.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.987 0.423 . . . . 1.0 109.929 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.82 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 97' ' ' GLY . 68.4 tttt -66.82 -32.62 74.02 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.725 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -41.41 -36.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.873 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.3 mpt? -73.61 -44.55 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' C' ' 94' ' ' LYS . . . -65.2 -37.31 93.89 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 59.3 m -50.1 -31.4 13.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 1.0 111.591 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.78 -51.2 4.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -58.89 -24.37 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.632 -0.713 . . . . 1.0 111.801 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.534 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 12.4 p -73.15 -60.14 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.534 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 7.3 tp -58.93 -44.46 91.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.0 111.06 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' C' ' 107' ' ' VAL . 2.0 pp -76.86 -19.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.918 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' C' ' 108' ' ' ALA . . . -57.25 -41.26 79.28 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 25.2 mt -62.15 -46.79 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.593 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.408 ' H ' HD12 ' C' ' 106' ' ' ILE . 5.1 mp -75.9 -30.11 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.774 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' C' ' 109' ' ' VAL . 44.9 t -83.18 -73.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.601 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' C' ' 104' ' ' ALA . . . -27.7 -36.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.477 0.486 . . . . 1.0 112.0 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.614 ' CG2' ' H ' ' C' ' 110' ' ' ILE . 30.1 m -81.19 -66.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . 0.614 ' H ' ' CG2' ' C' ' 109' ' ' VAL . 23.3 mt -51.26 -24.67 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.671 0.272 . . . . 1.0 110.406 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 8.6 m -59.57 -53.95 52.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.865 0.364 . . . . 1.0 110.766 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -68.21 -23.7 64.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.115 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.69 -58.3 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.184 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' C' ' 114' ' ' ILE . 1.3 mp -67.15 -41.32 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.767 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.37 -35.94 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' C' ' 119' ' ' HIS . 9.3 tp -71.72 -40.16 69.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.96 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -53.17 -20.67 4.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.081 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.455 ' C ' ' H ' ' C' ' 120' ' ' PHE . 3.3 m -62.38 -27.97 69.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.617 ' HD1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.04 -0.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.704 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.617 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 76.8 t80 -52.73 166.34 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.51 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.719 0 CA-C-O 117.906 -1.497 . . . . 1.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.37 -27.15 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.6 m-80 -65.77 117.07 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' ASN . 33.8 p 53.14 107.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.694 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 p -148.57 -38.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.0 -21.87 78.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -80.19 -30.38 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 1.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.7 p -72.9 -37.66 67.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.628 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -57.33 -49.16 77.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.643 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt -65.69 -40.91 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.43 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.69 -49.16 84.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.158 -0.682 . . . . 1.0 109.158 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -66.07 -40.24 90.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.0 73.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -22.68 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' O ' ' CH2' ' A' ' 18' ' ' TRP . . . -42.99 -34.59 2.04 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 11.4 p90 -127.97 50.64 2.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.835 0.35 . . . . 1.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -67.64 -43.49 80.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.784 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CH2' ' O ' ' A' ' 15' ' ' GLY . 17.2 p90 -55.54 -39.48 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.69 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 81.9 tttt -66.76 -40.34 88.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.603 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.52 -5.97 89.57 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.76 -48.73 44.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.723 0.296 . . . . 1.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -70.41 -24.98 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.557 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.01 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.71 89.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.668 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.631 ' HE1' ' NE2' ' A' ' 33' ' ' GLN . 8.1 t-105 -42.24 -44.43 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.794 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 pt -92.36 -22.76 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.553 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.31 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.494 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.477 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -73.5 5.75 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.838 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.27 -36.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.165 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 32' ' ' ARG . 33.8 p90 -84.57 -49.19 8.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.539 . . . . 1.0 110.799 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.605 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 14.3 ttm180 -62.73 -23.29 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.943 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.631 ' NE2' ' HE1' ' A' ' 25' ' ' TRP . 52.9 tt0 -59.26 -61.28 2.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -26.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.276 -0.875 . . . . 1.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.44 -46.86 3.4 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.449 -0.66 . . . . 1.0 111.449 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.9 t -46.74 -33.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.464 -0.433 . . . . 1.0 110.155 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.61 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.479 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -35.58 -24.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.311 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' ALA . 8.8 tp -89.96 -49.72 6.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -61.31 -36.73 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.282 -0.872 . . . . 1.0 110.46 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.98 -26.06 62.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.61 -42.28 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.041 -0.264 . . . . 1.0 110.605 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -47.14 -46.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 1.0 110.223 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.98 -39.35 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.406 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -51.86 -51.44 56.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.2 t -56.08 -49.15 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.462 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' ALA . 2.6 pp -160.85 135.28 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 29.6 p-10 -110.64 71.62 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.4 130.32 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.497 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.08 113.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.01 171.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.168 0.508 . . . . 1.0 111.045 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' THR . 2.4 pp -44.61 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.003 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.69 0.07 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.739 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.449 HH21 ' CD1' ' B' ' 57' ' ' LEU . 50.6 ttp85 -79.89 -47.89 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.783 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.4 t -62.66 -32.4 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' CD1' HH21 ' C' ' 55' ' ' ARG . 8.7 tp -48.76 -49.8 36.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.93 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.9 mm? -48.97 -51.7 29.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.89 -26.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.057 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -76.16 -55.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 1.0 110.304 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 p -64.76 -58.39 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' CG ' ' A' ' 66' ' ' MET . 3.0 p -49.86 -36.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.711 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 63' ' ' MET . 14.2 tmm? -68.21 -40.67 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 1.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -53.44 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.687 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -34.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' VAL . 5.5 mmt -68.67 -26.95 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.796 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 tt -55.33 -36.08 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.739 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.29 -21.19 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.72 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' SER . 26.8 mm-40 -97.08 -79.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.899 -0.408 . . . . 1.0 109.899 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' SER . 2.2 mm -39.68 -60.31 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.34 -40.02 61.42 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.4 t-20 -75.56 -10.22 59.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.334 0.588 . . . . 1.0 109.677 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.0 m -91.11 -51.65 5.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.16 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.91 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.6 pt -48.79 -36.99 8.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 119.951 -0.7 . . . . 1.0 109.321 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.2 mt-10 -82.95 -25.3 32.48 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.108 -0.33 . . . . 1.0 110.108 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -54.87 42.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.768 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.04 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.091 0.472 . . . . 1.0 109.803 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.65 -31.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.281 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLU . 9.1 m-20 -83.44 -108.1 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.577 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.67 ' H ' ' NH2' ' C' ' 92' ' ' ARG . 39.0 ttm-85 -104.3 6.24 35.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.179 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.85 -112.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.83 -143.02 5.65 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.611 -0.996 . . . . 1.0 110.611 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.49 81.17 8.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 1.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.87 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.91 -31.78 25.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.43 -34.55 77.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.46 110.62 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.0 tp -173.79 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.8 m -72.53 34.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.67 169.58 0.05 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.673 ' NH2' ' H ' ' B' ' 81' ' ' ARG . 12.3 ttm180 -85.44 -25.21 27.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.957 0.408 . . . . 1.0 110.322 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.99 -51.05 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.39 73.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.788 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.441 ' CG ' ' HG ' ' B' ' 73' ' ' SER . 10.0 t70 -40.37 -40.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 1.0 110.985 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 41.0 mtt -74.61 -44.54 50.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.82 -35.88 92.44 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -52.79 -28.14 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.853 0.359 . . . . 1.0 110.809 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.15 -54.11 3.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.17 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLY . 3.6 t -66.28 -64.04 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.302 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.44 -47.4 66.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.185 0.517 . . . . 1.0 110.526 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 106' ' ' ILE . 17.8 mm -70.56 -21.21 22.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.692 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.57 -49.82 5.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.95 -38.77 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ILE . 24.4 mm -70.31 -31.1 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.507 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' VAL . 82.3 t -67.34 -77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.998 0.427 . . . . 1.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.37 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.703 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 107' ' ' VAL . 36.7 t -95.4 -83.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.639 0.257 . . . . 1.0 111.237 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.6 mm -45.58 -43.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.328 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.4 m -61.26 -47.35 86.42 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.419 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -66.87 -32.34 73.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.97 0.414 . . . . 1.0 110.073 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.84 -57.9 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.443 HD13 HG23 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -67.1 -40.8 86.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.54 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.77 -31.48 62.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 118' ' ' SER . 6.8 tp -71.54 -34.72 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.198 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.18 -20.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.084 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 116' ' ' LEU . 29.5 m -50.95 -22.81 2.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.501 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 6.1 p80 -62.74 -24.2 67.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.68 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 90.7 t80 45.38 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.714 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.519 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.33 -27.16 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' B' ' 4' ' ' THR . 4.6 m-80 -65.86 117.13 7.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.423 ' O ' ' O ' ' B' ' 3' ' ' ASN . 33.9 p 53.06 107.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.7 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -148.46 -38.75 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.377 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.93 -21.83 78.27 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -80.19 -30.39 38.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 1.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -72.96 -37.61 67.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -57.41 -49.13 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.66 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -65.73 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.433 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.63 -49.27 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -66.03 -40.26 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.442 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.01 73.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.23 -22.81 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.519 ' O ' ' CH2' ' B' ' 18' ' ' TRP . . . -42.89 -34.64 1.99 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.098 -0.801 . . . . 1.0 111.098 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' B' ' 16' ' ' TYR . 11.5 p90 -128.0 50.77 2.02 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.88 0.371 . . . . 1.0 110.38 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.9 p -67.8 -43.05 80.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' O ' ' B' ' 15' ' ' GLY . 17.0 p90 -55.88 -39.43 71.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.709 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' B' ' 18' ' ' TRP . 82.1 tttt -66.93 -40.13 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.65 -5.87 89.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.75 -48.88 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 1.0 110.458 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.33 -24.96 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.49 -28.04 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.623 ' HE1' ' NE2' ' B' ' 33' ' ' GLN . 8.2 t-105 -42.23 -44.55 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.773 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.32 -22.66 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -108.39 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 29' ' ' ALA . 3.7 tm-20 -179.12 -81.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.488 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' B' ' 28' ' ' GLU . . . -73.59 5.75 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.11 -36.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.175 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.607 ' CG ' ' N ' ' B' ' 32' ' ' ARG . 33.8 p90 -84.52 -49.08 8.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.288 0.566 . . . . 1.0 110.841 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.607 ' N ' ' CG ' ' B' ' 31' ' ' PHE . 14.3 ttm180 -62.77 -23.42 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.895 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.623 ' NE2' ' HE1' ' B' ' 25' ' ' TRP . 53.0 tt0 -59.16 -61.28 2.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.579 -0.897 . . . . 1.0 108.579 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -40.97 -26.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.309 -0.86 . . . . 1.0 110.604 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.42 -46.79 3.42 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.507 -0.637 . . . . 1.0 111.507 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -46.78 -33.99 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.207 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.6 -66.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.541 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -35.6 -24.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.305 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' ALA . 8.8 tp -89.9 -49.69 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.9 tp -61.38 -36.58 80.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.534 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.09 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.251 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 23.9 t -76.54 -42.3 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.683 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.02 -46.53 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 1.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 pt -75.03 -39.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.405 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -51.86 -51.39 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.17 -49.18 74.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.968 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -54.96 -32.41 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' B' ' 45' ' ' ALA . 2.5 pp -160.83 135.23 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' B' ' 49' ' ' ASP . 29.7 p-10 -110.6 71.58 0.75 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -158.28 130.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.39 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.05 113.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.354 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.51 171.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.147 0.499 . . . . 1.0 111.016 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.4 pp -44.62 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.029 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.422 ' C ' ' O ' ' B' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.76 0.07 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.379 0.425 . . . . 1.0 110.786 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.438 HH21 ' CD1' ' C' ' 57' ' ' LEU . 50.8 ttp85 -79.87 -47.89 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.748 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 53' ' ' ILE . 11.3 t -62.5 -32.41 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.449 ' CD1' HH21 ' A' ' 55' ' ' ARG . 8.8 tp -48.87 -49.7 38.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.893 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -49.03 -51.72 29.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 1.0 109.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.403 HD13 HG23 ' B' ' 59' ' ' ILE . 79.1 mt -68.02 -26.65 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.008 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 1.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -64.88 -58.37 6.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.083 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 66' ' ' MET . 3.0 p -49.91 -36.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.689 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' B' ' 63' ' ' MET . 14.2 tmm? -68.33 -40.73 81.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 1.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -53.48 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.49 -34.16 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' B' ' 62' ' ' VAL . 5.5 mmt -68.74 -26.85 65.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.735 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 tt -55.47 -36.03 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.635 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.34 -21.11 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.74 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' B' ' 73' ' ' SER . 26.6 mm-40 -97.09 -79.37 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 73' ' ' SER . 2.2 mm -39.73 -60.23 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.45 -39.9 61.61 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.322 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.5 t-20 -75.72 -10.13 59.18 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.29 0.567 . . . . 1.0 109.647 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.9 m -91.02 -51.71 5.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.629 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.2 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.887 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.5 pt -48.77 -36.98 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.347 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 80' ' ' ASP . 53.3 mt-10 -82.96 -25.21 32.52 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.152 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.4 -54.91 41.64 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.464 -0.495 . . . . 1.0 110.779 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.02 22.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.872 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.65 -31.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.34 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' B' ' 76' ' ' GLU . 9.2 m-20 -83.4 -108.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.619 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.673 ' H ' ' NH2' ' A' ' 92' ' ' ARG . 39.2 ttm-85 -104.36 6.28 35.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 13.0 mt 64.93 -112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.81 -142.96 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -85.5 81.21 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.286 . . . . 1.0 110.52 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.94 22.01 0.98 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.482 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.97 25.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.18 -34.62 77.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.944 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.43 110.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.8 tp -173.58 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.749 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -72.44 34.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.5 169.6 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' C' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.27 27.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.902 0.382 . . . . 1.0 110.312 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.1 69.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.74 -32.45 73.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.76 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.35 -40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 1.0 110.882 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 41.0 mtt -74.54 -44.56 50.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.361 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.82 -35.97 92.55 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 29.0 t -52.76 -28.13 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 1.0 110.791 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.13 -54.12 3.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.28 -21.35 59.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' B' ' 97' ' ' GLY . 3.6 t -66.22 -64.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.392 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.47 -47.27 66.6 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 1.0 110.582 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' B' ' 106' ' ' ILE . 18.0 mm -70.64 -21.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.696 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.53 -49.8 5.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.835 -0.346 . . . . 1.0 110.831 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -64.0 -38.77 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' B' ' 103' ' ' ILE . 24.2 mm -70.2 -31.22 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.604 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' B' ' 109' ' ' VAL . 82.8 t -67.3 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-O 121.066 0.46 . . . . 1.0 110.621 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.41 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.776 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 107' ' ' VAL . 36.5 t -95.46 -83.22 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.252 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.52 -43.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.37 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.32 -47.34 86.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.8 -32.39 73.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 1.0 110.111 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.82 -57.9 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.4 HD13 HG23 ' B' ' 114' ' ' ILE . 0.2 OUTLIER -67.07 -40.71 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.591 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.82 -31.58 62.82 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' B' ' 118' ' ' SER . 6.7 tp -71.37 -34.84 70.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.204 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -46.24 -20.51 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.181 0.515 . . . . 1.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' SER . . . . . 0.431 ' N ' ' C ' ' B' ' 116' ' ' LEU . 28.7 m -50.94 -22.73 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.973 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 6.1 p80 -62.86 -24.19 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.606 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 90.7 t80 45.38 -93.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.65 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.979 -1.456 . . . . 1.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.3 -27.22 14.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.427 ' O ' ' OG1' ' C' ' 4' ' ' THR . 4.5 m-80 -65.72 117.09 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 3' ' ' ASN . 33.8 p 53.03 107.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.692 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -148.54 -38.78 0.17 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.98 -21.75 78.32 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -80.29 -30.41 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 1.0 110.509 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 p -72.94 -37.63 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.656 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -57.3 -49.15 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -65.77 -40.87 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.393 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.51 -49.28 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.351 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.93 73.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.28 -22.8 44.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.526 ' O ' ' CH2' ' C' ' 18' ' ' TRP . . . -43.01 -34.56 2.05 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.491 ' N ' ' CD1' ' C' ' 16' ' ' TYR . 11.7 p90 -127.99 50.74 2.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.796 0.331 . . . . 1.0 110.412 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 29.7 p -67.62 -43.57 80.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . 0.526 ' CH2' ' O ' ' C' ' 15' ' ' GLY . 17.2 p90 -55.47 -39.52 70.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.675 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.514 ' N ' ' CD1' ' C' ' 18' ' ' TRP . 82.2 tttt -66.85 -40.27 87.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.549 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 -5.99 89.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.72 -48.76 44.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 1.0 110.507 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.49 -24.99 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -27.98 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.66 89.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.645 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.624 ' HE1' ' NE2' ' C' ' 33' ' ' GLN . 8.2 t-105 -42.36 -44.43 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.774 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.35 -22.77 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.614 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.29 42.57 1.35 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' C' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.515 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' C' ' 28' ' ' GLU . . . -73.6 5.66 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.15 -36.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.389 -0.368 . . . . 1.0 111.232 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' C' ' 32' ' ' ARG . 34.0 p90 -84.61 -49.0 8.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.249 0.547 . . . . 1.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.608 ' N ' ' CG ' ' C' ' 31' ' ' PHE . 14.3 ttm180 -62.79 -23.47 67.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.89 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.624 ' NE2' ' HE1' ' C' ' 25' ' ' TRP . 53.0 tt0 -59.18 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -40.94 -26.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.41 -46.89 3.4 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.467 -0.653 . . . . 1.0 111.467 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.8 t -46.84 -33.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 122.427 -0.455 . . . . 1.0 110.147 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.75 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.497 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -35.57 -24.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.319 -178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' C' ' 37' ' ' ALA . 7.3 tp -90.01 -49.59 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.6 tp -61.14 -36.87 80.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.08 63.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.386 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.54 -42.31 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.658 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -47.04 -46.48 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.025 0.44 . . . . 1.0 110.237 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -75.05 -39.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.397 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -51.91 -51.37 57.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 45.7 t -56.17 -49.14 74.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.969 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.08 -32.34 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.467 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ALA . 2.6 pp -160.81 135.27 7.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' C' ' 49' ' ' ASP . 29.8 p-10 -110.63 71.44 0.75 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.581 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.24 130.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.09 112.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.393 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.88 171.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 1.0 111.074 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' C' ' 54' ' ' THR . 2.3 pp -44.62 -37.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 1.0 111.003 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' THR . . . . . 0.424 ' C ' ' O ' ' C' ' 53' ' ' ILE . 0.9 OUTLIER -34.23 -39.81 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.763 -179.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.449 HH21 ' CD1' ' A' ' 57' ' ' LEU . 50.7 ttp85 -79.74 -47.89 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.823 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 53' ' ' ILE . 11.6 t -62.61 -32.34 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . 0.438 ' CD1' HH21 ' B' ' 55' ' ' ARG . 8.7 tp -48.89 -49.77 38.21 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.976 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' C' ' 58' ' ' LEU . 3.9 mm? -48.82 -51.86 27.21 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.411 HG23 HD13 ' C' ' 59' ' ' ILE . 79.0 mt -67.88 -26.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -76.07 -55.23 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.956 0.408 . . . . 1.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' C' ' 62' ' ' VAL . 28.2 p -64.77 -58.42 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.446 ' H ' ' HG ' ' C' ' 61' ' ' SER . 3.0 p -49.91 -36.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.697 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' C' ' 63' ' ' MET . 14.2 tmm? -68.4 -40.67 81.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.0 110.73 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -53.46 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.36 -34.3 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.535 -0.466 . . . . 1.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' C' ' 62' ' ' VAL . 5.5 mmt -68.65 -26.97 65.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.758 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 tt -55.39 -36.0 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.769 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.31 -21.15 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.508 -0.477 . . . . 1.0 110.737 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' C' ' 73' ' ' SER . 26.7 mm-40 -97.11 -79.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' C' ' 73' ' ' SER . 2.2 mm -39.71 -60.3 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.32 -40.05 61.39 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 119.899 -0.72 . . . . 1.0 109.366 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.5 t-20 -75.64 -10.09 59.14 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.307 0.575 . . . . 1.0 109.679 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.9 m -91.07 -51.63 5.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.449 -0.796 . . . . 1.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.4 HD12 HG22 ' C' ' 75' ' ' ILE . 35.7 pt -48.85 -36.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 119.81 -0.756 . . . . 1.0 109.356 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 80' ' ' ASP . 53.1 mt-10 -82.97 -25.22 32.49 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.13 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.43 -54.84 42.46 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.829 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.35 -31.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.848 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.67 -31.06 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.302 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 76' ' ' GLU . 9.2 m-20 -83.43 -108.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.596 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.661 ' H ' ' NH2' ' B' ' 92' ' ' ARG . 39.1 ttm-85 -104.3 6.2 35.14 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.144 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' C' ' 77' ' ' ALA . 12.9 mt 64.86 -112.74 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.86 -142.98 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.46 81.08 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.33 . . . . 1.0 110.557 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.84 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.521 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.78 25.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.4 -34.53 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.33 110.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.493 ' C ' ' H ' ' C' ' 91' ' ' GLY . 6.9 tp -173.71 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.754 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 66.1 m -72.45 34.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.57 169.58 0.05 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.67 ' NH2' ' H ' ' A' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.24 27.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 1.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.06 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.643 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.41 73.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.39 -40.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 1.0 110.912 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 41.2 mtt -74.59 -44.51 50.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.367 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -64.83 -36.01 92.59 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -52.68 -28.17 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 1.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.22 -54.03 3.99 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.17 59.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' C' ' 97' ' ' GLY . 3.6 t -66.27 -64.03 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.361 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.4 -47.26 66.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.298 0.57 . . . . 1.0 110.666 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' C' ' 106' ' ' ILE . 17.9 mm -70.77 -21.11 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.58 -49.87 5.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.9 -38.79 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' C' ' 103' ' ' ILE . 24.4 mm -70.29 -31.17 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.541 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 109' ' ' VAL . 81.6 t -67.33 -77.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.978 0.418 . . . . 1.0 110.624 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.46 -26.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.773 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' C' ' 107' ' ' VAL . 36.7 t -95.41 -83.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.254 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.55 -43.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.333 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -61.32 -47.33 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.371 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.0 110.14 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -65.85 -57.99 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.921 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.437 HG23 HD12 ' C' ' 114' ' ' ILE . 0.2 OUTLIER -67.06 -40.81 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.7 -31.62 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' C' ' 118' ' ' SER . 6.8 tp -71.46 -34.82 70.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.14 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.16 -20.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 110.075 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.435 ' N ' ' C ' ' C' ' 116' ' ' LEU . 29.3 m -50.87 -22.88 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.953 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 6.0 p80 -62.74 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.654 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 90.8 t80 45.36 -93.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.722 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 117.991 -1.45 . . . . 1.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -162.43 -66.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . 10.0 t-20 59.66 164.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 3' ' ' ASN . 9.1 m 59.31 120.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.7 m -161.57 -41.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 43.16 0.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -77.84 -43.79 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 1.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.67 -36.53 69.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.589 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -56.71 -40.03 74.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.432 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.25 -48.09 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.2 -48.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.983 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.77 -37.15 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.404 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.74 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -61.48 -43.01 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.299 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.89 -23.77 0.31 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.923 -0.581 . . . . 1.0 111.786 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.559 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -115.13 24.22 11.86 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.859 0.361 . . . . 1.0 110.053 -179.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -53.61 -27.81 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -50.28 -45.45 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.594 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -64.46 -42.47 95.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.16 -18.8 71.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.23 -47.93 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -71.74 -26.92 62.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.53 21.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.049 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.65 -55.84 8.91 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.261 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.38 -13.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.444 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 44.0 t30 -61.38 -62.04 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.632 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 30' ' ' ALA . 35.1 tt0 -124.97 -44.7 1.91 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -65.23 4.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.693 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -41.42 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.0 t80 -76.09 -48.99 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ALA . 88.2 mtm-85 -63.21 -33.5 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.72 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 36' ' ' VAL . 1.7 tp-100 -59.44 -63.96 1.12 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLN . 78.5 tt0 -35.8 -31.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.068 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -76.8 -43.36 18.27 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.507 -1.037 . . . . 1.0 110.507 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' GLN . 80.9 t -48.51 -45.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -12.95 60.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.003 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' GLY . 95.6 t -93.16 -31.66 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.682 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.01 -62.86 1.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.728 0.299 . . . . 1.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.06 -39.42 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.888 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.12 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.771 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.1 t -77.83 -39.57 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.741 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -47.28 -38.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 1.0 110.411 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -73.9 -43.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.68 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.443 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.37 -39.41 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.623 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -102.28 -168.24 1.51 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.376 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.14 -0.96 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -156.75 133.97 10.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.463 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.79 -178.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.327 0.584 . . . . 1.0 111.672 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 56' ' ' VAL . 2.2 pp -50.89 -38.7 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.93 . . . . 1.0 110.957 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ILE . 82.6 p -35.03 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.022 0.439 . . . . 1.0 110.633 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ILE . 45.7 ttp85 -80.55 -48.23 13.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.197 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' ILE . 4.0 t -66.14 -39.12 83.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.641 -0.709 . . . . 1.0 111.058 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tt -47.62 -46.05 28.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 mt -47.87 -45.81 30.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 mm -73.24 -26.47 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.201 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -69.77 -55.72 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.6 -60.43 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.197 0.523 . . . . 1.0 111.038 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.42 -33.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.05 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' A' ' 66' ' ' MET . 24.5 tpp -68.38 -47.06 68.39 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.398 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.19 -52.62 60.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.161 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 16.8 m -62.19 -33.18 57.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -62.57 -44.38 96.46 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.75 -46.98 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.0 t -83.88 -34.14 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 112.299 0.481 . . . . 1.0 112.299 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 mp0 -92.09 -79.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.411 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.142 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.75 -36.75 62.69 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 119.224 -0.99 . . . . 1.0 109.41 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 59.4 t-20 -79.44 -11.9 59.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.084 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 69' ' ' GLU . 1.5 m -90.54 -52.25 4.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.148 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.5 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 109.952 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.8 pt -51.49 -34.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.766 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ASP . 66.7 tt0 -86.76 -26.9 23.93 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.29 -51.48 69.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.13 -32.06 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 115.143 -0.935 . . . . 1.0 109.548 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.67 -24.53 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.115 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.8 t0 -82.53 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.661 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ILE . 13.5 ptm180 -106.0 -35.3 7.32 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.824 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.5 tt 36.05 98.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.164 0.506 . . . . 1.0 111.348 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -79.84 -33.32 33.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 83' ' ' GLY . 6.4 m 58.31 119.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 1.0 110.68 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -44.72 153.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.74 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.77 -27.92 28.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.62 -62.44 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.859 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.04 101.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.231 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' GLY . 6.7 tp -155.77 -21.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.76 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -64.91 59.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.555 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 60.72 164.7 0.21 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.55 -19.52 33.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.19 0.519 . . . . 1.0 109.825 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.31 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' GLY . 54.2 tttp -66.91 -35.22 79.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.228 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 30.7 m-20 -41.12 -35.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.979 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.85 -43.22 59.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.212 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -65.26 -37.01 93.49 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.16 -27.18 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 1.0 110.58 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.9 -53.63 3.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.75 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.671 -0.695 . . . . 1.0 111.539 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' A' ' 102' ' ' LEU . 13.7 p -74.07 -60.12 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.516 ' H ' ' CG1' ' A' ' 101' ' ' VAL . 6.4 tp -56.21 -49.27 74.57 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.398 0.618 . . . . 1.0 110.914 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 pt -69.2 -18.79 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.309 -0.556 . . . . 1.0 110.442 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.0 -49.0 4.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.059 0.457 . . . . 1.0 110.284 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.407 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.3 tt -67.04 -43.33 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.357 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.25 -35.38 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.44 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 109' ' ' VAL . 66.1 t -79.32 -74.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.203 -0.199 . . . . 1.0 110.992 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -35.0 -29.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.958 0.409 . . . . 1.0 111.217 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 107' ' ' VAL . 87.7 t -87.38 -81.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.421 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.0 mm -45.85 -24.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.878 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 62.6 m -59.34 -50.94 72.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.933 0.397 . . . . 1.0 110.159 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.61 -24.34 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.504 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.56 -59.33 5.62 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.819 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.41 -40.4 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -39.31 73.19 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.77 -43.68 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.432 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.88 -32.32 44.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.127 0.489 . . . . 1.0 110.18 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 m -49.71 -33.8 17.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.73 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -156.2 141.61 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.781 0 CA-C-O 118.035 -1.425 . . . . 1.0 110.919 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -162.45 -66.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.534 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' THR . 10.0 t-20 59.61 163.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.414 ' O ' ' O ' ' B' ' 3' ' ' ASN . 9.0 m 59.37 120.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.512 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.0 m -161.57 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.44 43.16 0.15 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.004 -0.839 . . . . 1.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -77.85 -43.82 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -36.57 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.554 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.72 -39.93 74.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.404 HG23 HD13 ' B' ' 10' ' ' ILE . 81.9 mt -68.2 -48.16 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.44 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mt -62.19 -48.59 87.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.073 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.79 -37.12 85.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.421 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -32.71 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.567 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -61.56 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.278 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.93 -23.85 0.31 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.71 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.567 ' H ' ' C ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -115.05 24.31 11.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.906 0.384 . . . . 1.0 110.097 -179.442 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -53.32 -28.62 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.512 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -49.88 -45.4 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.601 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -64.48 -42.36 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -18.82 71.76 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.72 -38.94 79.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.506 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -63.84 -48.11 78.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.479 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -71.72 -26.94 62.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.63 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.87 -32.55 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.063 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.61 -55.97 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.8 mt -72.26 -13.88 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 23' ' ' ALA . 44.2 t30 -61.25 -62.06 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.663 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' B' ' 30' ' ' ALA . 35.2 tt0 -124.97 -44.63 1.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.987 0.422 . . . . 1.0 110.469 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -65.37 4.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -41.35 -23.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' B' ' 29' ' ' ALA . 23.0 t80 -76.02 -48.89 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.248 0.547 . . . . 1.0 109.734 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' B' ' 29' ' ' ALA . 88.3 mtm-85 -63.31 -33.54 75.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.6 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' B' ' 36' ' ' VAL . 1.7 tp-100 -59.46 -63.92 1.13 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.569 -0.9 . . . . 1.0 108.569 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -35.83 -31.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.128 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -76.95 -43.29 17.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.467 -1.053 . . . . 1.0 110.467 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.564 ' N ' ' O ' ' B' ' 33' ' ' GLN . 81.1 t -48.51 -45.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.57 -13.02 60.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.034 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 35' ' ' GLY . 96.1 t -93.15 -31.63 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.68 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.01 -62.85 1.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.73 0.3 . . . . 1.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.0 -39.5 41.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.869 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.21 74.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.743 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -77.7 -39.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.688 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -47.23 -38.17 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 1.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.95 -43.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.68 72.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.3 m -60.69 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -43.33 -39.31 3.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.73 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.26 -168.21 1.5 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.421 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.13 -1.02 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.416 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 p -158.49 140.29 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -156.86 133.89 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.445 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.77 -178.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.298 0.571 . . . . 1.0 111.715 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.2 pp -50.9 -38.68 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.996 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 53' ' ' ILE . 82.7 p -34.95 -33.24 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.059 0.457 . . . . 1.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 53' ' ' ILE . 45.7 ttp85 -80.58 -48.31 12.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.131 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 53' ' ' ILE . 4.0 t -66.06 -39.24 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.054 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tt -47.56 -46.12 27.67 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 mt -47.77 -45.86 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.518 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 mm -73.19 -26.49 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.251 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.8 -55.75 8.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -60.67 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.155 0.503 . . . . 1.0 110.972 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 m -50.46 -33.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.072 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' B' ' 66' ' ' MET . 24.7 tpp -68.24 -47.2 68.42 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.433 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -54.14 -52.49 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.196 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' B' ' 69' ' ' GLU . 16.6 m -62.37 -33.05 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' B' ' 63' ' ' MET . 0.0 OUTLIER -62.65 -44.38 96.41 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.708 -0.478 . . . . 1.0 109.708 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.3 mt -50.71 -47.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.862 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.72 -34.23 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' B' ' 69' ' ' GLU . 1.1 mp0 -92.06 -79.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.42 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.94 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.142 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.78 -36.66 62.65 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 119.18 -1.008 . . . . 1.0 109.408 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.423 ' O ' ' OD1' ' B' ' 72' ' ' ASN . 59.3 t-20 -79.42 -11.88 59.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.118 0.485 . . . . 1.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.56 -52.22 5.01 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.106 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.59 73.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.908 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 pt -51.41 -35.04 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.784 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 66.8 tt0 -86.73 -26.97 23.94 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.53 68.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.1 -32.1 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.526 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.7 -24.41 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.127 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.0 t0 -82.65 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.633 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 82' ' ' ILE . 13.5 ptm180 -105.99 -35.3 7.32 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.5 tt 36.01 98.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.276 0.56 . . . . 1.0 111.331 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -79.8 -33.26 34.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.609 -0.996 . . . . 1.0 110.609 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 83' ' ' GLY . 6.3 m 58.3 119.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.78 153.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.741 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -83.82 -27.86 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.755 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.68 -62.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.0 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' B' ' 91' ' ' GLY . 6.8 tp -155.83 -21.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.659 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 54.1 m -65.0 59.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.932 0.396 . . . . 1.0 111.543 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 60.72 164.69 0.21 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.52 -19.58 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.095 0.474 . . . . 1.0 109.773 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -50.29 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.558 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' B' ' 97' ' ' GLY . 54.1 tttp -66.8 -35.41 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 1.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 30.9 m-20 -41.04 -35.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.921 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.81 -43.22 59.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.238 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 94' ' ' LYS . . . -65.21 -37.04 93.57 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -51.22 -27.15 8.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 1.0 110.583 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.92 -53.55 3.64 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.81 47.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.446 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' B' ' 102' ' ' LEU . 13.6 p -74.03 -60.16 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.235 0.457 . . . . 1.0 112.235 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.518 ' H ' ' CG1' ' B' ' 101' ' ' VAL . 7.3 tp -55.98 -49.44 73.57 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.36 0.6 . . . . 1.0 110.944 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 pt -69.21 -18.71 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.474 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.03 -48.97 4.71 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.094 0.473 . . . . 1.0 110.359 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 tt -67.06 -43.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.18 -35.43 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.412 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 109' ' ' VAL . 66.7 t -79.33 -73.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 121.19 -0.204 . . . . 1.0 111.016 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -35.01 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.949 0.404 . . . . 1.0 111.253 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 107' ' ' VAL . 87.1 t -87.41 -81.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.4 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.84 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.914 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 62.5 m -59.41 -50.82 72.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.914 0.388 . . . . 1.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.76 -24.17 55.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.55 -59.44 5.44 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.715 -0.394 . . . . 1.0 110.825 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.29 -40.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -39.36 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.69 -43.76 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.411 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -52.92 -32.24 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.987 0.423 . . . . 1.0 110.13 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 36.9 m -49.68 -33.88 16.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.223 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -46.68 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -156.23 141.62 17.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.414 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 CA-C-O 117.975 -1.459 . . . . 1.0 110.936 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -162.42 -66.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' C' ' 4' ' ' THR . 10.0 t-20 59.66 164.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.422 ' O ' ' O ' ' C' ' 3' ' ' ASN . 9.0 m 59.27 120.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.58 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.2 m -161.64 -41.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.55 43.11 0.15 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.984 -0.847 . . . . 1.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.83 -43.73 29.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.327 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.71 -36.49 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.612 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.71 -40.05 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.411 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.22 -48.22 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.401 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.19 -48.46 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.102 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.89 -37.08 85.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.389 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.71 72.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.575 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -61.45 -43.04 99.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 -23.83 0.3 Allowed Glycine 0 CA--C 1.526 0.737 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.737 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.575 ' H ' ' C ' ' C' ' 14' ' ' ALA . 0.2 OUTLIER -115.05 24.21 11.89 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.853 0.359 . . . . 1.0 110.14 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 68.5 p -53.56 -27.86 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -50.27 -45.49 54.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -64.38 -42.35 96.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.32 -18.86 71.86 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.78 -38.97 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 1.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -63.84 -48.13 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.462 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -71.59 -27.08 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.87 -32.56 20.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.055 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.67 -55.78 9.07 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.263 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 92.8 mt -72.4 -13.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.39 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' C' ' 23' ' ' ALA . 44.2 t30 -61.2 -62.05 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' C' ' 30' ' ' ALA . 35.1 tt0 -125.07 -44.62 1.9 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.394 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -65.35 4.26 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.587 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -41.38 -23.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' C' ' 29' ' ' ALA . 22.8 t80 -75.99 -48.99 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.204 0.526 . . . . 1.0 109.715 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 29' ' ' ALA . 88.1 mtm-85 -63.19 -33.59 75.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.628 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' C' ' 36' ' ' VAL . 1.7 tp-100 -59.42 -64.03 1.09 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -35.78 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.303 -0.862 . . . . 1.0 111.109 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -76.88 -43.31 18.0 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.501 -1.04 . . . . 1.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.56 ' N ' ' O ' ' C' ' 33' ' ' GLN . 81.7 t -48.48 -45.58 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.768 -0.456 . . . . 1.0 109.768 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.9 60.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.039 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' C' ' 35' ' ' GLY . 95.8 t -93.2 -31.61 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.05 -62.8 1.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.723 0.297 . . . . 1.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -49.88 -39.65 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.921 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.24 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -77.79 -39.69 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.682 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -47.22 -38.15 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 1.0 110.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.03 -43.26 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.545 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.664 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.69 -51.93 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.35 -39.27 3.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.684 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -102.38 -168.17 1.5 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.391 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.19 -0.97 2.67 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.404 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.25 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -156.8 133.88 10.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.385 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.76 -178.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.375 0.607 . . . . 1.0 111.671 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' C' ' 56' ' ' VAL . 2.2 pp -50.82 -38.82 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.951 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' C' ' 53' ' ' ILE . 82.8 p -34.96 -33.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.995 0.426 . . . . 1.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' C' ' 53' ' ' ILE . 45.5 ttp85 -80.51 -48.3 12.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.198 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' C' ' 53' ' ' ILE . 4.0 t -66.09 -39.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 1.0 111.092 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tt -47.55 -46.14 27.57 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 mt -47.79 -45.79 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.527 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 mm -73.3 -26.46 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.76 -55.78 8.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.64 -60.35 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.172 0.51 . . . . 1.0 111.038 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.48 -32.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.045 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.544 ' CE ' ' SD ' ' C' ' 66' ' ' MET . 24.3 tpp -68.43 -47.02 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.368 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -54.29 -52.49 61.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.159 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' C' ' 69' ' ' GLU . 16.8 m -62.28 -33.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.59 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.544 ' SD ' ' CE ' ' C' ' 63' ' ' MET . 0.0 OUTLIER -62.6 -44.4 96.39 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -50.74 -47.08 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.803 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.74 -34.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 N-CA-C 112.433 0.531 . . . . 1.0 112.433 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' C' ' 69' ' ' GLU . 1.2 mp0 -92.11 -79.42 0.38 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.42 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' C' ' 73' ' ' SER . 21.3 mm -41.65 -55.85 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.81 -36.73 62.8 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 119.199 -1.001 . . . . 1.0 109.378 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' C' ' 72' ' ' ASN . 59.2 t-20 -79.34 -11.92 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.151 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' C' ' 69' ' ' GLU . 1.5 m -90.58 -52.16 5.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.187 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.51 73.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.153 0.501 . . . . 1.0 109.941 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 pt -51.34 -35.11 15.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.778 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 66.7 tt0 -86.69 -26.96 24.02 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 120.619 0.247 . . . . 1.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.51 69.1 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.045 -0.724 . . . . 1.0 109.045 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -54.11 -32.07 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.521 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.67 -24.5 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 60.9 t0 -82.61 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.621 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 82' ' ' ILE . 13.5 ptm180 -106.01 -35.33 7.3 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.5 tt 36.06 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.218 0.532 . . . . 1.0 111.367 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -79.81 -33.23 34.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' C' ' 83' ' ' GLY . 6.3 m 58.36 119.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 1.0 110.712 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.72 153.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.726 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.73 -28.01 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.753 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.58 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.99 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' C' ' 91' ' ' GLY . 6.7 tp -155.78 -21.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.723 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -64.98 59.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 60.57 164.67 0.2 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.43 -19.64 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 1.0 109.789 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.64 -50.36 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.582 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' C' ' 97' ' ' GLY . 54.2 tttp -66.93 -35.28 79.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.196 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 30.8 m-20 -40.95 -35.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.961 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 29.3 mtm -73.81 -43.25 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.407 . . . . 1.0 110.159 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 94' ' ' LYS . . . -65.15 -37.02 93.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.3 -27.12 8.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.83 -53.65 3.62 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.78 47.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.685 . . . . 1.0 111.471 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' C' ' 102' ' ' LEU . 13.5 p -74.07 -60.24 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.138 0.422 . . . . 1.0 112.138 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.526 ' H ' ' CG1' ' C' ' 101' ' ' VAL . 7.4 tp -55.99 -49.42 73.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.356 0.598 . . . . 1.0 110.911 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 pt -69.14 -18.79 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.478 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.99 -49.02 4.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.068 0.461 . . . . 1.0 110.313 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.3 tt -66.97 -43.32 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.422 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.31 -35.43 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 120.106 -0.637 . . . . 1.0 110.394 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 109' ' ' VAL . 65.9 t -79.29 -73.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.25 -0.18 . . . . 1.0 110.997 -179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -35.02 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.955 0.407 . . . . 1.0 111.235 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' C' ' 107' ' ' VAL . 88.4 t -87.34 -81.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.477 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 44.8 mm -45.83 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.944 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 61.9 m -59.31 -51.01 71.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.087 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.68 -24.24 55.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.503 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.51 -59.38 5.54 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.885 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.32 -40.52 86.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -39.28 73.13 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.8 -43.59 65.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.426 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -52.99 -32.35 45.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 1.0 110.064 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 34.4 m -49.71 -33.78 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.25 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -46.7 85.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.551 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -156.18 141.66 17.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.975 -1.458 . . . . 1.0 110.972 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -74.13 45.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.527 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 1' ' ' ALA . 21.3 m-80 -56.84 -10.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.524 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 2' ' ' ASN . 1.2 t -175.75 157.61 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.518 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -162.87 -43.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.4 4.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -55.54 -45.15 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 1.0 110.528 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -58.98 -38.4 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.83 -44.03 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.577 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.17 -50.38 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.507 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.87 -48.42 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.138 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -65.69 -35.86 81.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.437 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.38 97.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.566 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -79.03 -41.32 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.608 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' SER . . . 69.07 -12.2 1.2 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' H ' ' C ' ' A' ' 14' ' ' ALA . 47.5 m-85 42.07 18.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.687 0.28 . . . . 1.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' GLY . 60.1 p -79.63 -42.39 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.549 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -59.28 -37.33 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.25 -36.74 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.55 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 3.3 mm? -77.35 -28.93 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 1.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 26.1 mmt180 -58.96 -46.83 87.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.516 ' O ' ' CE3' ' A' ' 25' ' ' TRP . . . -53.02 -41.3 64.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.454 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.31 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CE3' ' O ' ' A' ' 23' ' ' ALA . 5.2 m-90 55.44 41.94 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.78 -12.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.373 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -62.25 -64.03 1.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.576 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 30' ' ' ALA . 40.9 tt0 -100.6 -52.62 3.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.012 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 1.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.113 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -35.39 -38.07 0.09 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.819 0.342 . . . . 1.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 53.2 p90 -91.02 -39.62 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.79 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.994 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 36' ' ' VAL . 44.6 tt0 -59.58 -61.0 2.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.922 -0.77 . . . . 1.0 108.922 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLN . 79.5 mt-10 -37.69 -33.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.675 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -78.35 -43.56 12.67 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.178 -1.169 . . . . 1.0 110.178 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' GLN . 68.7 t -48.36 -47.01 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.55 -11.75 54.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.841 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' GLY . 89.1 t -93.9 -32.83 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.315 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.45 -62.85 1.37 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.952 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.82 -37.84 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.281 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.96 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.239 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' SG ' ' A' ' 46' ' ' CYS . 71.6 t -87.19 -47.7 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.664 0.269 . . . . 1.0 111.417 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.66 -47.81 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.089 0.471 . . . . 1.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -61.08 -45.52 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.099 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -54.57 -29.12 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 42' ' ' VAL . 22.9 m -69.1 -42.24 76.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.002 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.52 -53.59 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.364 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' CD2' ' HE2' ' C' ' 119' ' ' HIS . 8.0 mp -87.1 174.6 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.289 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.56 -150.7 0.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -152.94 173.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.62 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 1.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.05 151.34 0.66 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 pt -135.96 27.03 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 p -60.72 -46.56 89.94 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.308 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.92 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.8 t -60.98 -29.16 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.619 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 tp -49.04 -39.37 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' O ' ' OG ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -59.69 -37.48 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' VAL . 96.6 mt -77.2 -57.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.799 . . . . 1.0 109.334 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -33.53 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 77.5 p -64.47 -62.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.5 . . . . 1.0 109.83 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' N ' ' OG ' ' A' ' 61' ' ' SER . 16.5 t -62.79 -27.29 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.818 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ttp -57.32 -38.39 73.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -53.95 -34.68 60.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -30.92 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.996 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' GLU . 45.8 mtt -56.08 -49.95 72.36 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.03 -24.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.618 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -27.52 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.13 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 66' ' ' MET . 54.7 mt-10 -97.91 -61.72 1.35 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.921 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' SER . 54.3 mt -55.1 -61.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.79 -36.48 37.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.106 -0.637 . . . . 1.0 109.401 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -75.83 -12.44 60.17 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -84.66 -51.63 6.69 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.42 77.05 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.656 -0.868 . . . . 1.0 108.656 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.4 -20.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.814 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ASP . 71.1 tt0 -96.48 -32.25 12.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.901 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -60.16 -52.47 65.2 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.047 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.1 p -56.02 -37.94 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.834 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.71 -25.68 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.461 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' GLU . 34.9 t0 -83.36 -109.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.528 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -104.84 -55.12 2.38 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 71.59 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 116.219 -0.446 . . . . 1.0 109.889 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.54 -108.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 1.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.588 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.68 -51.86 7.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.589 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' LEU . 95.0 m-70 -79.75 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.655 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' A' ' 95' ' ' ASP . 28.6 mm-40 -55.19 90.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.262 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' HIS . 0.8 OUTLIER -142.69 -21.12 0.66 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.071 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -67.73 55.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.83 160.76 1.05 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.9 -23.68 41.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.168 0.508 . . . . 1.0 109.651 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.3 66.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.47 -34.93 74.74 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.937 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.416 ' OD2' ' OE1' ' A' ' 88' ' ' GLU . 13.5 t0 -44.74 -40.06 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.35 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.86 -44.74 61.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.202 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.67 -35.21 91.65 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.479 -1.049 . . . . 1.0 110.479 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -48.72 -30.49 5.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.695 0.283 . . . . 1.0 111.191 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -49.76 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -57.18 -25.6 59.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.608 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG2' ' H ' ' A' ' 102' ' ' LEU . 19.2 m -70.25 -55.74 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.119 -0.633 . . . . 1.0 110.05 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.414 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 4.1 mp -57.78 -49.78 75.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.963 -0.695 . . . . 1.0 109.615 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.89 -25.88 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.702 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . -47.42 -43.34 23.7 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.263 -0.575 . . . . 1.0 109.723 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.16 -38.79 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 76.1 mt -72.82 -64.88 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.46 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.599 ' CG2' ' H ' ' A' ' 108' ' ' ALA . 16.6 m -47.87 -67.15 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.506 -0.478 . . . . 1.0 110.737 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.599 ' H ' ' CG2' ' A' ' 107' ' ' VAL . . . -34.45 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.004 0.431 . . . . 1.0 111.173 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 107' ' ' VAL . 95.7 t -93.23 -80.13 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.585 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 72.5 mt -46.26 -35.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 22.0 m -58.38 -52.69 64.56 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.611 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -67.51 -29.56 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.184 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.49 -59.1 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.324 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.28 -39.28 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.812 0.339 . . . . 1.0 110.233 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.49 -42.22 77.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.028 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.96 -45.3 78.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -56.42 -21.08 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.961 0.41 . . . . 1.0 110.119 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.65 -27.07 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.278 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.54 ' HE2' ' CD2' ' B' ' 48' ' ' LEU . 33.0 m170 -62.44 -47.02 85.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.853 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -92.39 114.04 26.47 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.913 0.387 . . . . 1.0 110.57 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 CA-C-O 117.953 -1.471 . . . . 1.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' B' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' B' ' 4' ' ' THR . 0.8 OUTLIER -74.16 45.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' B' ' 1' ' ' ALA . 21.3 m-80 -56.79 -10.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 2' ' ' ASN . 1.2 t -175.9 157.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.511 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m -162.73 -43.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.555 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.42 4.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -55.65 -45.09 77.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 1.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 54.7 p -58.95 -38.42 78.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.86 -43.98 97.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.513 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.411 HG23 HD13 ' B' ' 10' ' ' ILE . 79.0 mt -66.33 -50.26 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.83 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.092 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.73 -35.94 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.343 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.632 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -79.13 -41.29 28.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.597 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 17' ' ' SER . . . 69.14 -12.51 1.17 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.074 -0.811 . . . . 1.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' B' ' 14' ' ' ALA . 47.1 m-85 42.82 17.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 1.0 110.986 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 15' ' ' GLY . 60.4 p -77.57 -42.94 33.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.733 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . 0.514 ' N ' ' HG ' ' B' ' 17' ' ' SER . 4.9 m-90 -59.04 -37.37 76.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.744 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.31 -36.68 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.5 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.31 -40.11 98.6 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' B' ' 21' ' ' LEU . 3.3 mm? -77.28 -28.99 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 1.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' B' ' 25' ' ' TRP . 26.1 mmt180 -58.91 -47.05 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.455 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.51 ' O ' ' CE3' ' B' ' 25' ' ' TRP . . . -52.86 -41.3 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.483 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.33 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.537 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' O ' ' B' ' 23' ' ' ALA . 5.2 m-90 55.42 41.95 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.82 -12.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.34 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.27 -64.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.596 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' B' ' 30' ' ' ALA . 41.0 tt0 -100.5 -52.7 3.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -60.28 1.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.112 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -35.34 -38.14 0.09 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.892 0.377 . . . . 1.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 53.2 p90 -91.05 -39.63 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.811 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.77 78.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.028 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' B' ' 36' ' ' VAL . 44.5 tt0 -59.46 -61.11 2.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 33' ' ' GLN . 79.7 mt-10 -37.7 -33.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.693 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -78.41 -43.57 12.47 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' B' ' 33' ' ' GLN . 68.7 t -48.26 -47.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.8 54.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.821 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' B' ' 35' ' ' GLY . 88.1 t -93.84 -32.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.38 -63.01 1.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.56 -38.06 42.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.289 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.246 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.481 ' O ' ' SG ' ' B' ' 46' ' ' CYS . 70.2 t -87.28 -47.74 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.621 -0.263 . . . . 1.0 111.308 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.59 -47.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 1.0 110.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -60.98 -45.63 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.155 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -54.39 -29.24 48.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.516 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' B' ' 42' ' ' VAL . 23.0 m -69.08 -42.24 76.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 109.991 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.51 -53.57 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.54 ' CD2' ' HE2' ' A' ' 119' ' ' HIS . 8.0 mp -87.1 174.67 8.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.331 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -90.61 -150.78 0.23 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 20.1 m -152.84 173.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.28 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -170.57 -157.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.377 . . . . 1.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.37 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.97 26.93 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.075 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.403 ' O ' ' N ' ' B' ' 57' ' ' LEU . 33.5 p -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.277 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.87 14.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.557 -0.535 . . . . 1.0 109.557 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 59' ' ' ILE . 3.8 t -61.05 -29.08 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.657 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 54' ' ' THR . 46.3 tp -49.02 -39.43 27.01 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' B' ' 61' ' ' SER . 0.9 OUTLIER -59.69 -37.46 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.001 -0.741 . . . . 1.0 109.001 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 59' ' ' ILE . 96.6 mt -77.16 -57.56 5.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.337 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -46.03 -33.53 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.35 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 58' ' ' LEU . 77.3 p -64.41 -62.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 1.0 109.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 61' ' ' SER . 16.2 t -62.75 -27.36 42.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.752 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.1 ttp -57.37 -38.4 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.81 -34.78 60.22 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.053 -0.721 . . . . 1.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.7 -30.87 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.048 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.527 ' O ' ' N ' ' B' ' 69' ' ' GLU . 45.7 mtt -56.01 -50.02 72.04 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.228 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -24.3 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 119.869 -0.732 . . . . 1.0 109.578 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 4.1 t -88.93 -27.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.1 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' MET . 54.7 mt-10 -97.85 -61.93 1.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.856 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 73' ' ' SER . 53.5 mt -54.74 -61.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -36.42 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.165 -0.614 . . . . 1.0 109.462 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.89 -12.42 60.15 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.2 m -84.81 -51.51 6.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.53 76.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mm -57.32 -20.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.699 -1.137 . . . . 1.0 109.852 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 80' ' ' ASP . 71.3 tt0 -96.58 -32.2 12.37 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.81 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -60.15 -52.48 65.14 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.048 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.1 p -56.07 -37.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.909 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.83 -25.62 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.48 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' B' ' 76' ' ' GLU . 35.0 t0 -83.33 -109.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.528 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.83 -55.18 2.37 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.847 0.314 . . . . 1.0 111.847 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 71.51 139.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.927 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.48 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 1.0 110.633 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -81.69 -51.81 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 95.0 m-70 -79.81 -62.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.652 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.417 ' OE1' ' OD2' ' B' ' 95' ' ' ASP . 28.7 mm-40 -55.22 90.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 87' ' ' HIS . 0.8 OUTLIER -142.66 -21.2 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.095 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 78.9 p -67.69 55.36 0.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 1.0 111.265 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.74 160.78 1.03 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.85 -23.77 41.75 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.35 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.608 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.46 -34.96 74.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.848 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD2' ' OE1' ' B' ' 88' ' ' GLU . 13.5 t0 -44.61 -40.19 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.395 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.81 -44.74 61.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.573 -0.451 . . . . 1.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.68 -35.17 91.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.529 -1.028 . . . . 1.0 110.529 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 53.3 p -48.76 -30.5 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 1.0 111.204 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 -49.68 5.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -57.17 -25.7 59.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.579 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.421 ' CG2' ' H ' ' B' ' 102' ' ' LEU . 19.2 m -70.16 -55.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.421 ' H ' ' CG2' ' B' ' 101' ' ' VAL . 4.1 mp -57.73 -49.81 75.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.995 -0.682 . . . . 1.0 109.664 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.92 -25.75 20.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.787 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -47.45 -43.36 23.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.273 -0.571 . . . . 1.0 109.664 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.16 -38.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 75.3 mt -72.68 -65.0 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.531 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.598 ' CG2' ' H ' ' B' ' 108' ' ' ALA . 16.6 m -47.87 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.75 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.598 ' H ' ' CG2' ' B' ' 107' ' ' VAL . . . -34.5 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.039 0.447 . . . . 1.0 111.234 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 107' ' ' VAL . 97.4 t -93.14 -80.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.669 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 72.4 mt -46.23 -35.82 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.039 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 22.1 m -58.38 -52.65 64.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.629 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.53 -29.66 69.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.149 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.43 -58.99 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.356 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.34 -39.22 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.828 0.347 . . . . 1.0 110.28 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.54 -42.23 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 1.0 109.985 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.9 -45.31 78.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -56.46 -21.1 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 1.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.68 -26.97 68.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.327 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.558 ' HE2' ' CD2' ' C' ' 48' ' ' LEU . 32.7 m170 -62.51 -47.01 85.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.855 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.38 113.99 26.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.871 0.367 . . . . 1.0 110.562 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 117.985 -1.453 . . . . 1.0 110.941 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' C' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' C' ' 4' ' ' THR . 0.8 OUTLIER -74.12 45.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.543 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' C' ' 1' ' ' ALA . 21.4 m-80 -56.86 -10.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.602 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.404 ' H ' ' C ' ' C' ' 2' ' ' ASN . 1.2 t -175.82 157.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.4 m -162.78 -43.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.508 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.47 4.8 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -55.51 -45.15 77.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 55.0 p -58.93 -38.31 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -62.87 -44.06 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.28 -50.24 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.86 -48.57 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.052 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -65.65 -35.98 82.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.339 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.28 96.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -79.08 -41.2 29.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.675 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' C' ' 17' ' ' SER . . . 69.03 -12.2 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' C' ' 14' ' ' ALA . 47.7 m-85 42.13 18.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.309 . . . . 1.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.529 ' N ' ' O ' ' C' ' 15' ' ' GLY . 60.0 p -79.54 -42.42 25.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.535 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -59.31 -37.34 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.18 -36.8 63.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.37 -40.01 98.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' C' ' 21' ' ' LEU . 3.3 mm? -77.3 -28.89 53.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 1.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.437 ' O ' ' CD1' ' C' ' 25' ' ' TRP . 26.1 mmt180 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.486 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CE3' ' C' ' 25' ' ' TRP . . . -52.92 -41.32 64.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.4 69.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.514 ' CE3' ' O ' ' C' ' 23' ' ' ALA . 5.2 m-90 55.46 42.0 30.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.88 -12.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.382 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.18 -64.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' C' ' 30' ' ' ALA . 40.9 tt0 -100.44 -52.73 3.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.081 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 1.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.143 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -35.36 -38.22 0.1 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.93 0.395 . . . . 1.0 111.451 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 53.3 p90 -90.98 -39.65 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 15.7 tpt180 -61.11 -36.2 79.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.983 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' C' ' 36' ' ' VAL . 44.4 tt0 -59.17 -61.0 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -37.75 -33.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.692 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -78.44 -43.62 12.31 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.176 -1.17 . . . . 1.0 110.176 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' C' ' 33' ' ' GLN . 58.9 t -48.24 -47.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.416 -0.514 . . . . 1.0 109.665 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -11.78 54.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' C' ' 35' ' ' GLY . 85.9 t -93.76 -33.0 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.37 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.38 -62.86 1.37 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -50.66 -37.99 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.784 0.326 . . . . 1.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.95 67.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.492 ' O ' ' SG ' ' C' ' 46' ' ' CYS . 71.9 t -87.17 -47.71 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.591 0.234 . . . . 1.0 111.412 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.72 -47.75 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 1.0 110.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -61.02 -45.6 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -54.54 -29.06 49.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.567 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' C' ' 42' ' ' VAL . 22.7 m -69.1 -42.33 76.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.011 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.44 -53.48 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.483 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.558 ' CD2' ' HE2' ' B' ' 119' ' ' HIS . 8.0 mp -87.19 174.6 8.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.328 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -90.56 -150.75 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -152.91 173.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.48 -157.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.08 151.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.88 27.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 33.8 p -60.78 -46.65 89.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -48.2 -36.89 14.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' C' ' 59' ' ' ILE . 3.8 t -60.99 -29.15 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.617 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 tp -49.02 -39.31 26.51 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' C' ' 61' ' ' SER . 0.9 OUTLIER -59.83 -37.38 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.974 -0.75 . . . . 1.0 108.974 179.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' C' ' 56' ' ' VAL . 96.5 mt -77.14 -57.61 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.386 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 13.9 t -46.12 -33.42 3.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.306 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' SER . . . . . 0.555 ' HG ' ' N ' ' C' ' 62' ' ' VAL . 77.8 p -64.49 -62.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.522 . . . . 1.0 109.775 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.555 ' N ' ' HG ' ' C' ' 61' ' ' SER . 16.3 t -62.69 -27.4 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.779 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 25.8 ttp -57.28 -38.49 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.77 -34.8 60.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.092 -0.707 . . . . 1.0 109.092 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -30.93 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.987 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.519 ' O ' ' N ' ' C' ' 69' ' ' GLU . 45.5 mtt -56.09 -50.01 72.22 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.217 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -24.22 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.617 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' C' ' 66' ' ' MET . 4.1 t -89.02 -27.37 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.116 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' C' ' 66' ' ' MET . 54.7 mt-10 -97.95 -61.69 1.35 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.89 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 73' ' ' SER . 54.8 mt -55.14 -61.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -36.5 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.084 -0.646 . . . . 1.0 109.432 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.78 -12.48 60.19 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.534 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.2 m -84.69 -51.65 6.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.793 -0.817 . . . . 1.0 108.793 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.4 77.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.45 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.622 -1.172 . . . . 1.0 109.777 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 80' ' ' ASP . 71.3 tt0 -96.6 -32.29 12.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.83 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -60.04 -52.53 64.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.073 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.0 p -56.02 -37.93 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.816 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -80.77 -25.59 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.488 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' C' ' 76' ' ' GLU . 35.1 t0 -83.37 -109.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.494 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.79 -55.11 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 71.54 139.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.845 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.52 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.38 105.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 1.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.2 90.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.81 -51.71 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' C' ' 89' ' ' LEU . 94.9 m-70 -79.88 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' OD2' ' C' ' 95' ' ' ASP . 28.5 mm-40 -55.24 90.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.3 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' C' ' 87' ' ' HIS . 0.8 OUTLIER -142.61 -21.26 0.67 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.04 -179.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -67.69 55.4 0.06 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.75 160.78 1.04 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.87 -23.68 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 1.0 109.711 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.654 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.42 -34.98 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . 0.41 ' OD2' ' OE1' ' C' ' 88' ' ' GLU . 13.6 t0 -44.63 -40.13 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.407 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 44.4 mtt -72.77 -44.79 61.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.225 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.7 -35.19 91.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.69 -30.5 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.279 . . . . 1.0 111.214 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.75 -49.74 5.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -57.13 -25.63 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.554 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.422 ' CG2' ' H ' ' C' ' 102' ' ' LEU . 19.2 m -70.25 -55.78 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.061 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.422 ' H ' ' CG2' ' C' ' 101' ' ' VAL . 4.1 mp -57.64 -49.85 75.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.636 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.82 -26.03 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.722 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' C' ' 100' ' ' ALA . . . -47.38 -43.31 23.24 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.2 -0.6 . . . . 1.0 109.755 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.15 -38.82 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.88 -64.86 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.342 -0.543 . . . . 1.0 111.456 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.614 ' CG2' ' H ' ' C' ' 108' ' ' ALA . 16.7 m -47.84 -67.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.786 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.614 ' H ' ' CG2' ' C' ' 107' ' ' VAL . . . -34.52 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.947 0.403 . . . . 1.0 111.184 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' C' ' 107' ' ' VAL . 96.9 t -93.17 -80.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.649 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 72.5 mt -46.34 -35.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 21.8 m -58.37 -52.71 64.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.625 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.49 -29.6 69.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.51 -59.04 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.359 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 13.2 pt -60.26 -39.26 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.836 0.35 . . . . 1.0 110.318 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.47 -42.31 78.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 1.0 109.984 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.87 -45.33 78.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.539 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -56.35 -21.11 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 1.0 110.157 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.75 -26.98 67.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.551 ' HE2' ' CD2' ' A' ' 48' ' ' LEU . 32.9 m170 -62.49 -47.05 85.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.839 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.33 114.1 26.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.935 0.398 . . . . 1.0 110.537 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 118.014 -1.437 . . . . 1.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 18.0 p-10 -172.71 92.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 m120 51.24 -142.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.419 ' OG1' ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -165.36 77.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.4 p -78.61 -40.96 33.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 20.83 0.21 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.3 -28.25 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 1.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 ' OG1' ' OG1' ' A' ' 4' ' ' THR . 8.8 m -55.07 -45.23 75.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.821 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 13' ' ' ALA . 10.2 ptp180 -62.7 -37.73 87.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.624 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -61.97 -47.82 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.66 -49.04 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.969 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.69 -34.09 77.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.194 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -64.95 -44.35 89.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.411 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.23 -14.57 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' C ' ' CD1' ' A' ' 16' ' ' TYR . . . -92.19 -66.23 1.12 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 121.461 -0.4 . . . . 1.0 112.471 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 15' ' ' GLY . 26.3 p90 35.51 32.04 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.933 0.397 . . . . 1.0 111.182 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 62.6 m -54.7 -23.57 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.49 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -50.1 -40.52 46.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -68.76 -42.46 77.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.47 -5.99 79.42 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' CD1' ' HE1' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -69.53 -49.04 58.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.117 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -56.39 -42.96 78.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.45 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.3 -30.43 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.684 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.61 ' HE1' ' CD1' ' A' ' 21' ' ' LEU . 7.0 m0 -68.86 -64.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.738 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.34 -13.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.98 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.613 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.28 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.629 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -78.91 2.92 18.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.478 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.91 -21.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.593 . . . . 1.0 111.598 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' ALA . 38.8 p90 -91.28 -41.69 10.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.214 0.531 . . . . 1.0 110.213 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 18.5 ttt85 -75.99 -22.28 56.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.401 -0.818 . . . . 1.0 109.498 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.2 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.47 -0.937 . . . . 1.0 108.47 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.09 -18.94 0.95 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.34 -0.846 . . . . 1.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.6 -58.79 1.79 Allowed Glycine 0 CA--C 1.531 1.086 0 C-N-CA 121.238 -0.506 . . . . 1.0 112.681 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.1 -33.38 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 117.172 0.486 . . . . 1.0 111.082 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -55.7 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 2.0 t -37.15 -19.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 37' ' ' ALA . 10.6 mt -89.49 -48.94 6.98 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 37' ' ' ALA . 39.0 mt -70.49 -40.37 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.47 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.432 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 4.7 p -96.87 -38.5 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 120.946 -0.302 . . . . 1.0 111.591 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 44' ' ' ILE . 9.3 p -60.72 -45.14 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.211 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 17.1 tt -65.36 -47.03 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.188 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.15 -46.6 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.667 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.43 -172.12 2.83 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.356 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.18 0.43 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.3 m -151.58 167.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.331 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 31.2 t0 -164.29 -137.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -52.3 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.564 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -154.51 20.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.799 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.92 -33.84 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.792 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -57.08 -40.72 77.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ILE . 67.0 t -47.69 -40.56 7.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.647 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 tp -49.24 -51.39 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.077 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.19 -43.25 70.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.254 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 63' ' ' MET . 12.9 mm -73.0 -55.31 13.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.208 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.9 m -49.36 -46.27 46.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.298 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -64.41 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.974 0.416 . . . . 1.0 110.467 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.5 -27.78 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.698 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' ILE . 31.5 ttm -60.37 -31.63 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.048 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -43.27 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.742 -0.836 . . . . 1.0 108.742 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.83 -31.44 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.196 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' ILE . 32.8 mtt -61.19 -34.85 75.74 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.688 -0.405 . . . . 1.0 109.978 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 HG23 HD12 ' A' ' 67' ' ' ILE . 17.6 mm -53.13 -49.02 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 m -81.8 -21.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.381 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -92.56 -69.96 0.72 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 73' ' ' SER . 18.8 mt -57.1 -65.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.628 -0.429 . . . . 1.0 110.183 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.32 -40.57 11.98 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.679 -178.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 2.4 t30 -58.35 -4.8 0.42 Allowed 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 m -90.14 -46.27 8.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.38 68.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.382 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 pt -66.78 -16.61 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.271 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 51.0 mm-40 -93.68 -28.66 15.84 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.582 -0.896 . . . . 1.0 108.582 177.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -64.15 -46.26 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.387 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.94 -45.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.83 -26.11 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.691 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' GLU . 28.9 t70 -80.24 -98.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.519 0.563 . . . . 1.0 112.519 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 15.4 mmm180 -96.69 -16.25 21.02 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.058 0.392 . . . . 1.0 112.058 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt 34.95 96.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.009 0.433 . . . . 1.0 111.577 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -84.83 -39.04 8.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' GLY . 11.6 t 47.54 98.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 1.0 110.621 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.84 169.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.28 -15.05 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.46 -25.23 35.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.066 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.82 106.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.138 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.3 tp -174.43 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.5 p -70.75 32.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.284 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.9 170.57 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.7 -21.41 25.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.085 0.469 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.62 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.61 -30.77 70.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.599 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.32 4.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.722 0.296 . . . . 1.0 111.084 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 mtt -71.93 -45.95 59.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.001 0.429 . . . . 1.0 109.976 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.52 -37.02 94.13 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.0 m -48.28 -30.94 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 1.0 110.654 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.26 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.493 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.555 ' CG2' ' H ' ' A' ' 102' ' ' LEU . 20.9 m -67.05 -60.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.246 -0.582 . . . . 1.0 109.49 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.555 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 14.1 mt -53.57 -49.97 66.57 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.165 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 106' ' ' ILE . 16.9 mt -64.84 -24.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.278 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.27 -48.18 3.53 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.057 0.455 . . . . 1.0 110.601 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.44 -38.9 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.089 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 103' ' ' ILE . 15.1 mt -74.05 -62.49 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.593 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -48.47 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.903 -178.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -32.2 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.864 0.364 . . . . 1.0 111.867 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.1 t -89.76 -77.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.084 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.73 -27.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 1.0 110.906 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 97.0 m -59.57 -47.71 84.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.19 58.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.67 -58.01 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.932 -0.307 . . . . 1.0 111.161 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 115' ' ' LEU . 3.3 tp -60.05 -43.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.701 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' A' ' 114' ' ' ILE . 76.8 mt -60.81 -41.39 95.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.308 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 11.1 tp -62.44 -46.6 87.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.96 -28.0 67.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.679 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.5 m -65.16 -38.24 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.089 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 120' ' ' PHE . 1.8 p-80 -76.51 -43.81 37.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.471 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 36.5 t80 -45.49 147.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 CA-C-O 118.016 -1.435 . . . . 1.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 18.0 p-10 -172.72 92.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.29 -142.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' B' ' 8' ' ' THR . 0.1 OUTLIER -165.28 77.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.578 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -78.54 -41.06 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.537 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.25 20.98 0.21 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.3 -28.36 27.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 1.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.423 ' OG1' ' OG1' ' B' ' 4' ' ' THR . 8.8 m -54.96 -45.3 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.783 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -62.69 -37.73 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.626 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.95 -47.88 91.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.889 -0.411 . . . . 1.0 109.889 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.406 HG22 HD13 ' B' ' 11' ' ' ILE . 77.5 mt -61.64 -49.02 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.005 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.75 -33.94 77.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.37 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.281 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 -14.43 53.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.186 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CD1' ' B' ' 16' ' ' TYR . . . -92.18 -66.1 1.12 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.486 -0.387 . . . . 1.0 112.392 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' B' ' 15' ' ' GLY . 25.9 p90 35.32 31.94 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.08 0.467 . . . . 1.0 111.24 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 15' ' ' GLY . 58.8 m -53.22 -26.56 18.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.453 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -48.56 -40.32 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.805 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -68.84 -42.49 77.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 1.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.55 -5.89 79.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.62 ' CD1' ' HE1' ' B' ' 25' ' ' TRP . 0.2 OUTLIER -69.58 -48.98 58.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 1.0 110.104 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -56.38 -42.94 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.14 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.5 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.41 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.737 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.62 ' HE1' ' CD1' ' B' ' 21' ' ' LEU . 7.0 m0 -68.87 -64.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -57.24 -13.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.531 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.97 -61.74 2.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.574 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.25 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -78.9 2.91 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.8 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.516 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' ALA . 38.9 p90 -91.31 -41.74 10.76 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.15 0.5 . . . . 1.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' ALA . 18.4 ttt85 -75.98 -22.21 56.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.494 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.25 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.523 -0.917 . . . . 1.0 108.523 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.06 -18.91 0.91 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.31 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.66 -58.78 1.78 Allowed Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.241 -0.504 . . . . 1.0 112.698 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -50.05 -33.46 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 117.172 0.486 . . . . 1.0 111.042 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -55.58 -62.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.979 -0.749 . . . . 1.0 108.979 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' B' ' 42' ' ' VAL . 2.0 t -37.12 -19.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.382 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' B' ' 37' ' ' ALA . 10.6 mt -89.47 -49.0 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.811 -0.811 . . . . 1.0 108.811 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 37' ' ' ALA . 38.2 mt -70.42 -40.33 73.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.82 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.65 62.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.402 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' B' ' 38' ' ' VAL . 4.7 p -96.79 -38.56 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.949 -0.3 . . . . 1.0 111.619 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' B' ' 44' ' ' ILE . 9.3 p -60.73 -45.1 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.158 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.465 ' N ' ' CG1' ' B' ' 43' ' ' VAL . 17.2 tt -65.52 -46.89 88.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.918 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -59.76 -28.96 67.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.208 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.29 -46.52 73.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.661 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -63.67 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.132 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -93.34 -172.14 2.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.433 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -155.16 0.43 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.66 167.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 31.4 t0 -164.29 -137.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.521 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -52.39 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -154.46 21.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.841 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -40.06 -33.76 0.24 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.934 0.397 . . . . 1.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -57.05 -40.8 77.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.796 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 53' ' ' ILE . 67.3 t -47.65 -40.53 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.66 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.21 -51.42 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.18 -43.22 70.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.271 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 63' ' ' MET . 12.9 mm -72.99 -55.35 13.09 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.176 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -49.38 -46.31 47.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.248 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -64.28 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 1.0 110.539 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.53 -27.76 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' B' ' 59' ' ' ILE . 31.5 ttm -60.4 -31.56 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.992 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.82 -43.28 80.86 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.75 -31.55 52.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.198 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.0 mtt -61.04 -35.04 75.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.627 -0.429 . . . . 1.0 109.969 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.95 -49.04 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 m -81.78 -21.54 10.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.359 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.43 -70.14 0.71 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.982 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' B' ' 73' ' ' SER . 18.6 mt -57.02 -65.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.211 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 73' ' ' SER . 0.1 OUTLIER -46.43 -40.5 12.33 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.71 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' B' ' 76' ' ' GLU . 2.3 t30 -58.41 -4.74 0.42 Allowed 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.532 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.5 m -90.23 -46.25 8.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.546 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.31 68.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 pt -66.91 -16.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.224 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' B' ' 72' ' ' ASN . 51.3 mm-40 -93.64 -28.68 15.85 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 82' ' ' ILE . . . -64.21 -46.21 84.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.354 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.99 -45.1 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.636 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.87 -26.03 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.705 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 76' ' ' GLU . 29.0 t70 -80.35 -98.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.526 0.565 . . . . 1.0 112.526 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 82' ' ' ILE . 15.4 mmm180 -96.65 -16.17 21.11 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.098 0.407 . . . . 1.0 112.098 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' B' ' 77' ' ' ALA . 3.8 tt 34.83 96.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.085 0.469 . . . . 1.0 111.488 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -84.91 -38.94 8.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 83' ' ' GLY . 11.7 t 47.57 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 1.0 110.655 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.95 169.3 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 1.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.34 -15.04 47.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.658 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.43 -25.24 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.061 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.87 106.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.081 -0.34 . . . . 1.0 110.081 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.3 tp -174.61 -51.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 91' ' ' GLY . 20.6 p -70.94 32.2 0.04 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.219 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.84 170.51 0.04 OUTLIER Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.62 -21.38 25.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.144 0.497 . . . . 1.0 110.159 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -51.74 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.709 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.57 -30.8 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.566 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.34 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.741 0.305 . . . . 1.0 111.187 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.8 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 1.0 110.019 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.98 94.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -48.18 -30.94 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 1.0 110.687 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.29 -50.78 5.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.784 -0.451 . . . . 1.0 109.784 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.27 -25.45 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.47 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.545 ' CG2' ' H ' ' B' ' 102' ' ' LEU . 21.5 m -66.87 -60.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.549 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.545 ' H ' ' CG2' ' B' ' 101' ' ' VAL . 13.8 mt -53.71 -49.94 66.99 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.188 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 106' ' ' ILE . 16.6 mt -64.82 -24.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.324 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.32 -48.3 3.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.113 0.482 . . . . 1.0 110.554 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.29 -38.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.091 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' B' ' 103' ' ' ILE . 14.8 mt -74.04 -62.54 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.576 -0.45 . . . . 1.0 111.569 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 0.4 OUTLIER -48.41 -75.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 120.706 -0.397 . . . . 1.0 110.857 -178.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -32.23 -33.05 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.845 0.355 . . . . 1.0 111.759 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.1 t -89.78 -77.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.019 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.63 -27.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.325 . . . . 1.0 110.928 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 96.8 m -59.62 -47.7 84.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.18 58.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.71 -58.03 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' B' ' 115' ' ' LEU . 3.3 tp -59.95 -43.33 92.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.685 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' B' ' 114' ' ' ILE . 75.8 mt -60.84 -41.38 95.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 1.0 110.315 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 11.0 tp -62.38 -46.56 88.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.233 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.0 -27.95 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 69.1 m -65.23 -38.25 89.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.075 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' B' ' 120' ' ' PHE . 1.8 p-80 -76.37 -43.95 38.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 1.0 110.523 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' B' ' 119' ' ' HIS . 36.3 t80 -45.41 147.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.695 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 118.008 -1.44 . . . . 1.0 110.938 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 17.9 p-10 -172.75 92.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 m120 51.23 -142.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.53 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.426 ' OG1' ' OG1' ' C' ' 8' ' ' THR . 0.1 OUTLIER -165.3 77.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.578 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -78.65 -41.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.537 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.27 20.96 0.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.28 -28.34 27.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.848 0.356 . . . . 1.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.426 ' OG1' ' OG1' ' C' ' 4' ' ' THR . 9.0 m -55.02 -45.24 75.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.784 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' C' ' 13' ' ' ALA . 10.2 ptp180 -62.76 -37.69 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mt -61.93 -47.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.952 -0.388 . . . . 1.0 109.952 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.52 -49.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.985 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.68 -34.01 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.258 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' C' ' 9' ' ' ARG . . . -64.97 -44.4 89.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.39 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.12 -14.55 53.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.218 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' C' ' 16' ' ' TYR . . . -92.24 -66.3 1.12 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 121.484 -0.388 . . . . 1.0 112.382 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' C' ' 15' ' ' GLY . 26.4 p90 35.52 32.15 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.923 0.392 . . . . 1.0 111.125 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 15' ' ' GLY . 61.5 m -54.78 -23.59 18.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.471 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -50.03 -40.53 45.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.596 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.8 -42.46 77.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.39 -6.16 79.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.612 ' CD1' ' HE1' ' C' ' 25' ' ' TRP . 0.2 OUTLIER -69.51 -48.99 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 1.0 110.137 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -56.35 -42.97 78.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.501 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.09 63.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.2 -30.45 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.612 ' HE1' ' CD1' ' C' ' 21' ' ' LEU . 7.0 m0 -68.88 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.26 -13.83 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.59 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.99 -61.7 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.623 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.83 -27.26 2.11 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -79.0 2.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.437 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.9 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.516 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' C' ' 29' ' ' ALA . 38.7 p90 -91.19 -41.72 10.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.245 0.545 . . . . 1.0 110.238 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 29' ' ' ALA . 18.5 ttt85 -76.02 -22.16 56.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.507 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.23 -64.85 0.77 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.516 -0.92 . . . . 1.0 108.516 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.14 -18.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.32 -0.854 . . . . 1.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.71 -58.76 1.78 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 121.249 -0.5 . . . . 1.0 112.697 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.09 -33.41 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 117.142 0.471 . . . . 1.0 111.06 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -55.67 -62.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.981 -0.748 . . . . 1.0 108.981 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' C' ' 42' ' ' VAL . 2.0 t -37.2 -19.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.745 -0.661 . . . . 1.0 111.328 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' C' ' 37' ' ' ALA . 10.7 mt -89.53 -48.87 7.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' C' ' 37' ' ' ALA . 38.6 mt -70.52 -40.31 73.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.727 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.54 62.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.486 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' C' ' 38' ' ' VAL . 4.7 p -96.74 -38.6 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.643 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' C' ' 44' ' ' ILE . 9.5 p -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.182 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' C' ' 43' ' ' VAL . 17.1 tt -65.38 -47.07 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.919 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -59.66 -29.06 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 24.2 t -67.16 -46.66 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.713 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -63.67 -38.4 90.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.104 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.42 -172.15 2.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.372 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.22 0.43 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.704 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 32.4 m -151.61 167.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 31.2 t0 -164.28 -137.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.654 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.512 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -52.26 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.1 OUTLIER -154.52 21.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.795 -179.828 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.94 -33.81 0.24 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.891 0.376 . . . . 1.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -57.12 -40.72 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.846 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' C' ' 53' ' ' ILE . 67.9 t -47.63 -40.61 7.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.683 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.19 -51.4 32.98 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.15 -43.28 70.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.21 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' C' ' 63' ' ' MET . 12.9 mm -72.96 -55.33 13.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.218 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 73.7 m -49.43 -46.31 47.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -64.31 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.439 . . . . 1.0 110.512 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -58.55 -27.7 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.672 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.502 ' N ' ' O ' ' C' ' 59' ' ' ILE . 31.5 ttm -60.52 -31.52 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.967 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.82 -43.21 80.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.675 -0.861 . . . . 1.0 108.675 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 t -67.82 -31.44 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.258 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' C' ' 70' ' ' ILE . 32.9 mtt -61.12 -34.88 75.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.027 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 mm -53.04 -49.11 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -81.73 -21.61 10.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.384 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.31 -70.06 0.71 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.674 -0.411 . . . . 1.0 111.062 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' C' ' 73' ' ' SER . 18.5 mt -57.1 -65.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.551 ' C ' ' H ' ' C' ' 73' ' ' SER . 0.1 OUTLIER -46.36 -40.51 12.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.715 -178.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' C' ' 76' ' ' GLU . 2.3 t30 -58.52 -4.66 0.43 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.551 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.6 m -90.24 -46.28 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.536 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.8 -51.26 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.432 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 pt -66.86 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.204 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' C' ' 72' ' ' ASN . 51.0 mm-40 -93.5 -28.77 15.89 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 108.662 -0.866 . . . . 1.0 108.662 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -64.11 -46.27 84.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.345 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.96 -45.12 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.78 -26.08 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.665 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' C' ' 76' ' ' GLU . 28.8 t70 -80.39 -98.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 15.4 mmm180 -96.66 -16.24 21.06 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' C' ' 77' ' ' ALA . 3.8 tt 34.98 96.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.024 0.44 . . . . 1.0 111.542 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -84.81 -39.01 8.96 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 83' ' ' GLY . 11.9 t 47.45 98.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -60.84 169.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -84.33 -15.04 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -55.43 -25.29 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.981 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.89 106.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.073 -0.343 . . . . 1.0 110.073 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.3 tp -174.43 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' SER . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' GLY . 20.4 p -70.84 32.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.257 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.85 170.53 0.04 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.664 -0.974 . . . . 1.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.65 -21.35 25.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.043 0.449 . . . . 1.0 110.146 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.59 60.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.708 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.68 -30.75 70.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.577 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 55.3 m-20 -43.62 -40.36 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.717 0.294 . . . . 1.0 111.126 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.84 59.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.0 109.995 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.68 -36.97 94.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 49.4 m -48.29 -30.91 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.925 0.393 . . . . 1.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.22 -50.93 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.761 -0.459 . . . . 1.0 109.761 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.12 -25.43 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.548 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.544 ' CG2' ' H ' ' C' ' 102' ' ' LEU . 21.2 m -66.95 -60.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.515 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.544 ' H ' ' CG2' ' C' ' 101' ' ' VAL . 12.7 mt -53.86 -49.85 67.57 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.945 -0.702 . . . . 1.0 110.15 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' C' ' 106' ' ' ILE . 16.8 mt -64.75 -24.34 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.282 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -41.37 -48.18 3.68 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.988 0.423 . . . . 1.0 110.521 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -38.95 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 103' ' ' ILE . 15.2 mt -74.06 -62.4 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 120.461 -0.495 . . . . 1.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' C' ' 109' ' ' VAL . 0.4 OUTLIER -48.48 -75.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.865 -178.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -32.25 -33.0 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.866 0.365 . . . . 1.0 111.826 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.5 t -89.85 -77.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . 0.411 HG22 HD12 ' C' ' 110' ' ' ILE . 21.6 mm -49.69 -27.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.713 0.292 . . . . 1.0 110.884 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 97.0 m -59.56 -47.67 84.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -75.43 -26.13 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.73 -58.12 7.12 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' C' ' 115' ' ' LEU . 3.4 tp -59.95 -43.32 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.615 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' C' ' 114' ' ' ILE . 76.3 mt -60.88 -41.27 95.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 1.0 110.351 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . 0.431 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 11.0 tp -62.42 -46.57 87.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.185 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -68.02 -27.87 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 69.3 m -65.28 -38.2 89.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.13 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' C' ' 120' ' ' PHE . 1.9 p-80 -76.52 -43.87 37.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.479 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' C' ' 119' ' ' HIS . 36.2 t80 -45.28 146.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.956 -1.469 . . . . 1.0 110.918 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.8 t30 55.76 62.06 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -75.74 96.1 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.14 101.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.55 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.8 m -161.17 -41.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.0 -48.17 10.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.07 -31.14 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 1.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 m -58.67 -36.49 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.21 -37.67 88.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.8 mp -68.58 -49.61 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.969 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.38 -49.42 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.279 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -65.95 -38.02 87.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.542 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.49 73.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.49 -14.79 58.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.9 -50.57 32.09 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 4.3 p90 -98.34 34.28 2.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.8 0.333 . . . . 1.0 110.5 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -62.95 -30.43 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.599 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -64.29 -46.18 84.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.43 -39.22 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.13 -27.55 46.32 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.06 -45.14 43.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 1.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -69.13 -29.82 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.17 63.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.87 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.691 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.44 -63.66 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 pt -60.62 -16.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.19 42.49 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' A' ' 30' ' ' ALA . 70.1 tt0 179.67 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.08 0.467 . . . . 1.0 110.763 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.168 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -38.35 -31.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.509 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 32' ' ' ARG . 55.8 p90 -90.43 -45.38 9.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.019 0.437 . . . . 1.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.548 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 27.6 ttm-85 -63.69 -27.53 69.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.771 -0.649 . . . . 1.0 109.98 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 35' ' ' GLY . 27.4 mt-30 -59.61 -60.99 2.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.36 -26.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.0 111.25 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -94.68 -45.93 3.06 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.518 -0.633 . . . . 1.0 111.518 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -44.17 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 122.669 -0.313 . . . . 1.0 111.06 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -61.12 -70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 1.0 110.22 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 m -40.41 -19.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.019 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.72 -55.79 3.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.4 tp -59.77 -33.54 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.033 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.07 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.92 -1.036 . . . . 1.0 110.593 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.1 t -91.26 -40.22 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.03 -48.8 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.657 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.08 -46.5 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.93 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.57 74.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.26 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -60.01 -51.76 68.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.52 -32.87 65.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.288 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.92 110.13 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 1.0 110.643 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.77 37.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.951 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' ALA . 27.9 p30 -106.21 157.71 17.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.911 0.386 . . . . 1.0 110.135 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -60.63 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.193 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tt -176.69 -11.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.26 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' LEU . 20.9 m -43.32 -46.87 6.57 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.715 0.293 . . . . 1.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -39.72 19.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' ILE . 24.7 t -60.48 -29.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.622 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' THR . 39.4 tp -47.56 -43.84 25.63 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.14 -38.29 68.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 62' ' ' VAL . 68.1 mt -77.76 -54.97 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.029 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 m -44.08 -39.9 4.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.68 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 p -64.0 -45.72 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.765 -0.828 . . . . 1.0 108.765 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ILE . 99.4 t -69.66 -26.99 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.05 -0.977 . . . . 1.0 110.412 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' ILE . 23.1 ttt -57.34 -38.56 74.31 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.7 -35.9 81.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.55 -41.09 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.284 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.2 mtt -54.25 -36.14 63.26 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.9 -24.7 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 120.069 -0.653 . . . . 1.0 109.284 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.16 -27.88 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.773 0.321 . . . . 1.0 111.236 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.79 -57.2 2.35 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.124 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' SER . 45.4 mm -59.54 -58.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 73' ' ' SER . 3.9 tt -46.09 -43.62 14.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.89 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.47 -9.82 0.35 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.382 0.611 . . . . 1.0 109.835 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.509 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 t -89.61 -49.11 6.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.624 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.21 70.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.949 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -63.94 -15.51 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.461 -0.79 . . . . 1.0 109.67 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' ASP . 58.5 tt0 -93.48 -29.3 15.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.71 -51.05 68.68 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.047 -0.978 . . . . 1.0 110.776 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -54.89 -41.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.658 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.6 m -84.69 -26.23 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.333 -0.547 . . . . 1.0 110.524 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 76' ' ' GLU . 7.5 m-20 -82.48 -106.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.879 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -104.69 -54.91 2.43 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.051 0.389 . . . . 1.0 112.051 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.51 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.03 -99.32 2.55 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.3 m 50.57 42.45 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 1.0 110.693 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -57.56 -73.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 54.8 t80 -85.38 -15.0 44.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.011 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 7.0 t60 -54.88 -62.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.005 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.48 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.2 tp -172.03 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.9 m -71.51 19.32 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.98 169.29 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.475 -1.05 . . . . 1.0 110.475 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.01 -21.37 24.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.164 0.507 . . . . 1.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.7 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.649 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.56 -27.7 67.17 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.35 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.072 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.4 mtt -75.03 -47.08 30.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -64.88 -36.99 93.75 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 m -48.82 -33.82 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.77 0.319 . . . . 1.0 110.774 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.97 -52.95 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.23 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.307 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLY . 16.8 t -67.59 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.55 -47.24 66.88 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.16 0.505 . . . . 1.0 110.064 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 107' ' ' VAL . 13.2 mm -73.4 -21.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.48 4.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.397 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 tt -68.84 -40.01 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.855 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' ILE . 96.4 mt -71.89 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.848 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' VAL . 1.8 t -49.26 -72.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.828 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -33.73 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.831 0.348 . . . . 1.0 111.741 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.8 t -93.66 -75.35 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.957 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 110' ' ' ILE . 1.6 mp -45.69 -42.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.603 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.48 -41.01 88.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.549 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 1.0 110.215 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.83 -57.82 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.828 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.11 -40.5 89.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.76 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.81 -31.77 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -40.28 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.976 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -59.62 -22.01 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.2 -32.51 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.469 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 1.3 m80 -63.36 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.623 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -154.9 143.48 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.953 -1.47 . . . . 1.0 110.927 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.68 62.13 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -75.76 96.15 3.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.607 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.17 101.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.0 m -161.1 -41.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.05 -48.15 10.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -54.11 -30.98 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 1.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -58.78 -36.46 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.637 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.24 -37.71 88.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' B' ' 10' ' ' ILE . 1.8 mp -68.53 -49.62 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.95 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.38 -49.35 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.281 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -65.96 -38.14 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.51 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.544 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.65 -14.73 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.809 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.92 -50.5 32.44 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.521 ' CD1' ' N ' ' B' ' 16' ' ' TYR . 4.3 p90 -98.4 34.31 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.78 0.324 . . . . 1.0 110.476 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -63.08 -30.3 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -64.31 -46.2 84.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.61 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.38 -39.12 92.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -27.66 46.89 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.8 -45.55 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 1.0 110.487 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -68.82 -30.01 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.19 63.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.96 89.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.34 -63.66 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -60.64 -16.76 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.719 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.16 42.48 1.36 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.376 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.437 ' C ' ' H ' ' B' ' 30' ' ' ALA . 70.0 tt0 179.71 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.041 0.448 . . . . 1.0 110.72 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.2 5.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -38.43 -31.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.482 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' B' ' 32' ' ' ARG . 56.1 p90 -90.43 -45.44 8.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.976 0.417 . . . . 1.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.555 ' N ' ' CD2' ' B' ' 31' ' ' PHE . 27.5 ttm-85 -63.57 -27.68 69.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' B' ' 35' ' ' GLY . 27.4 mt-30 -59.46 -61.04 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.51 -26.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -94.75 -45.88 3.05 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.515 -0.634 . . . . 1.0 111.515 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.08 -44.13 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 122.752 -0.263 . . . . 1.0 111.029 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -61.23 -70.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 1.0 110.08 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 18.3 m -40.51 -18.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.01 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.84 -55.74 3.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.4 tp -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.034 -0.984 . . . . 1.0 110.048 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.8 -23.05 64.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.588 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.26 -40.18 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.04 -48.86 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.61 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.03 -46.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.877 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.6 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.99 -51.72 68.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.56 -32.9 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.244 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.248 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.97 110.14 3.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.73 37.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.992 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 52' ' ' ALA . 27.7 p30 -106.16 157.77 17.32 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.958 0.408 . . . . 1.0 110.099 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -60.7 -125.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.242 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tt -176.67 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.651 -0.25 . . . . 1.0 111.287 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 57' ' ' LEU . 20.8 m -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.334 -0.099 0 O-C-N 122.192 -0.317 . . . . 1.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -39.74 18.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.949 0.404 . . . . 1.0 109.968 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 59' ' ' ILE . 24.5 t -60.48 -29.41 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.624 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 54' ' ' THR . 38.9 tp -47.46 -43.78 24.52 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.22 -38.33 68.29 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' B' ' 62' ' ' VAL . 66.2 mt -77.74 -54.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.081 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.5 m -44.06 -39.94 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.629 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.6 p -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.668 -0.864 . . . . 1.0 108.668 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 59' ' ' ILE . 97.7 t -69.49 -27.04 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.463 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 23.4 ttt -57.41 -38.56 74.52 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.58 -35.96 81.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.53 -41.11 87.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.313 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.1 mtt -54.28 -36.17 63.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.472 -0.566 . . . . 1.0 109.472 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.86 -24.71 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.044 -0.662 . . . . 1.0 109.317 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.18 -27.84 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 120.747 0.308 . . . . 1.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -96.86 -57.05 2.38 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.139 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.8 mm -59.67 -58.79 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' B' ' 73' ' ' SER . 3.9 tt -46.15 -43.73 15.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.43 -0.508 . . . . 1.0 109.766 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.81 0.33 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.315 0.578 . . . . 1.0 109.95 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.6 t -89.66 -49.06 6.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.608 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.34 69.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.84 -15.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.729 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 58.1 tt0 -93.5 -29.26 15.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.665 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 m -54.85 -41.19 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.553 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 8.0 m -84.56 -26.27 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.517 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 7.5 m-20 -82.42 -106.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.097 -0.641 . . . . 1.0 110.89 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -104.63 -54.95 2.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.48 140.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.04 -99.3 2.55 Favored Glycine 0 N--CA 1.467 0.713 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 65.3 m 50.56 42.41 26.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 1.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.54 -73.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.113 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' B' ' 86' ' ' TYR . 54.7 t80 -85.31 -14.97 44.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 89' ' ' LEU . 7.0 t60 -54.82 -62.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.021 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -47.58 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.482 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.2 tp -172.03 -51.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.3 m -71.48 19.37 0.06 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 111.025 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.0 169.26 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.03 -21.28 24.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 1.0 109.892 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.64 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.673 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.7 -27.54 66.92 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -43.55 -40.89 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.069 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.11 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -64.93 -37.01 93.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.7 m -48.77 -33.9 11.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.721 0.296 . . . . 1.0 110.744 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.93 -52.94 4.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.7 -22.15 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.307 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' B' ' 97' ' ' GLY . 16.9 t -67.62 -58.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.427 -0.582 . . . . 1.0 109.427 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.36 -47.29 66.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.187 0.518 . . . . 1.0 110.116 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' B' ' 107' ' ' VAL . 13.1 mm -73.38 -21.34 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.656 -0.417 . . . . 1.0 111.172 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.42 -45.42 4.36 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.51 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 tt -68.79 -40.07 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 110' ' ' ILE . 96.4 mt -71.87 -63.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.73 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' B' ' 109' ' ' VAL . 1.8 t -49.33 -72.76 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.233 -0.439 . . . . 1.0 109.91 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -33.86 -34.65 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 111.721 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.7 t -93.61 -75.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.042 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' B' ' 106' ' ' ILE . 1.6 mp -45.71 -42.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.613 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.56 -41.02 89.19 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.33 -28.58 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.997 0.427 . . . . 1.0 110.25 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.88 -57.84 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.763 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.09 -40.41 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.806 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.91 -31.66 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 1.0 109.922 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -40.34 69.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.953 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -59.76 -21.88 61.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.357 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' SER . . . . . 0.402 ' OG ' ' OD2' ' C' ' 51' ' ' ASP . 7.1 m -70.27 -32.43 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.453 ' HD1' ' N ' ' B' ' 119' ' ' HIS . 1.3 m80 -63.36 -41.99 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -155.0 143.47 20.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.407 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.756 0 CA-C-O 117.936 -1.48 . . . . 1.0 110.97 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 54.9 t30 55.7 62.13 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.566 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -75.78 96.19 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.23 101.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.476 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.3 m -161.11 -41.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.03 -48.18 10.24 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -54.04 -30.97 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 1.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -58.82 -36.48 74.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.23 -37.66 88.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.57 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' C' ' 10' ' ' ILE . 1.8 mp -68.65 -49.47 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.51 -49.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.201 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.5 73.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.559 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.62 -14.69 58.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.9 -50.56 32.12 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' C' ' 16' ' ' TYR . 4.3 p90 -98.33 34.19 2.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.81 0.338 . . . . 1.0 110.492 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -63.05 -30.29 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -64.43 -46.13 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.563 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.42 -39.1 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.28 -27.52 47.15 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tp -74.89 -45.47 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 1.0 110.502 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -68.89 -29.9 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.16 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.663 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.609 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.28 -63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.62 -16.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.76 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.23 42.5 1.36 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.363 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' C' ' 30' ' ' ALA . 70.1 tt0 179.61 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.734 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.26 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.219 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -38.35 -31.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.527 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' C' ' 32' ' ' ARG . 55.7 p90 -90.45 -45.52 8.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.973 0.416 . . . . 1.0 110.821 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' C' ' 31' ' ' PHE . 27.4 ttm-85 -63.52 -27.71 69.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.96 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' C' ' 35' ' ' GLY . 27.5 mt-30 -59.52 -61.06 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.16 -0.682 . . . . 1.0 109.16 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -40.39 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.305 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.74 -46.01 3.02 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 111.399 -0.68 . . . . 1.0 111.399 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.02 -44.14 77.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 O-C-N 122.688 -0.301 . . . . 1.0 111.042 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -61.13 -70.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 1.0 110.138 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 18.0 m -40.41 -19.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.698 . . . . 1.0 110.999 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.79 -55.82 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.4 tp -59.59 -33.67 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.028 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -23.05 64.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.539 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 45.9 t -91.25 -40.13 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.964 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.94 -48.95 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 1.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.05 -46.49 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.908 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.57 74.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.99 -51.82 68.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -56.35 -32.96 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.292 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.9 128.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.274 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.89 110.11 3.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.72 37.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.984 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' C' ' 52' ' ' ALA . 27.8 p30 -106.14 157.75 17.32 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.902 0.382 . . . . 1.0 110.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -60.71 -125.48 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.169 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 8.5 tt -176.71 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.232 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 20.9 m -43.34 -46.89 6.63 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-O 120.727 0.299 . . . . 1.0 111.226 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -39.77 18.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.917 0.389 . . . . 1.0 109.977 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' C' ' 59' ' ' ILE . 24.4 t -60.5 -29.33 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.59 -43.79 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.86 -0.422 . . . . 1.0 109.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.13 -38.37 68.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' C' ' 63' ' ' MET . 67.9 mt -77.68 -55.07 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.637 -0.71 . . . . 1.0 110.035 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 18.1 m -43.97 -40.02 4.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.661 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 16.9 p -63.97 -45.63 88.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' C' ' 59' ' ' ILE . 98.5 t -69.67 -27.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.453 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' C' ' 59' ' ' ILE . 23.1 ttt -57.3 -38.73 74.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.46 -36.02 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.57 -40.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.323 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.482 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.1 mtt -54.37 -36.18 63.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 73.4 mt -59.78 -24.73 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.056 -0.658 . . . . 1.0 109.327 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.12 -27.89 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.709 0.29 . . . . 1.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -96.82 -57.09 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.172 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 73' ' ' SER . 45.0 mm -59.59 -58.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' C' ' 73' ' ' SER . 3.9 tt -46.07 -43.84 14.96 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.4 -0.52 . . . . 1.0 109.771 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.79 0.33 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.356 0.598 . . . . 1.0 109.915 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.534 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.5 t -89.65 -49.12 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.34 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.991 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.86 -15.53 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.705 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' C' ' 80' ' ' ASP . 57.8 tt0 -93.48 -29.28 15.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.884 -1.154 . . . . 1.0 107.884 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.999 -1.001 . . . . 1.0 110.704 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 m -54.89 -41.1 55.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.606 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 m -84.65 -26.22 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.469 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' C' ' 76' ' ' GLU . 7.5 m-20 -82.44 -106.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.106 -0.638 . . . . 1.0 110.912 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -104.56 -54.99 2.42 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.093 0.405 . . . . 1.0 112.093 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.53 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.01 -99.3 2.54 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 64.1 m 50.63 42.41 26.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.771 0.319 . . . . 1.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.61 -73.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.082 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 55.0 t80 -85.41 -14.98 44.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' C' ' 89' ' ' LEU . 7.0 t60 -54.86 -62.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.001 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.52 89.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.937 -0.305 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.538 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.3 tp -172.07 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -71.46 19.36 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.934 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.94 169.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.53 -1.028 . . . . 1.0 110.53 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -88.01 -21.42 24.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 1.0 109.817 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.7 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.668 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -67.68 -27.63 67.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.41 -41.0 4.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.067 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.04 31.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -64.92 -36.94 93.68 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.6 m -48.91 -33.79 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.315 . . . . 1.0 110.725 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.98 4.33 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 1.0 109.788 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -22.11 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' C' ' 97' ' ' GLY . 16.8 t -67.72 -58.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 -47.36 66.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.112 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' C' ' 107' ' ' VAL . 13.1 mm -73.28 -21.41 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.24 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.34 -45.43 4.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.595 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 12.8 tt -68.77 -40.06 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.919 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' C' ' 110' ' ' ILE . 96.4 mt -71.96 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' C' ' 109' ' ' VAL . 1.8 t -49.3 -72.84 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -33.83 -34.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.814 0.34 . . . . 1.0 111.745 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' C' ' 107' ' ' VAL . 43.7 t -93.57 -75.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.041 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' C' ' 110' ' ' ILE . 1.6 mp -45.79 -41.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.562 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.55 -41.06 89.24 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.477 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.34 -28.53 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.257 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.94 -57.75 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.802 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.15 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.806 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.9 -31.76 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.57 -40.34 70.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.019 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -59.72 -22.01 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.1 -32.46 70.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.472 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 1.3 m80 -63.48 -41.92 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.616 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -154.99 143.5 20.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.988 -1.451 . . . . 1.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' H2 ' ' H ' ' A' ' 2' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' H ' ' H2 ' ' A' ' 1' ' ' ALA . 7.8 m-80 -75.3 -53.91 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.611 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -76.0 136.97 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.567 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -161.43 129.8 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.57 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.1 42.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.11 -34.74 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 1.0 110.518 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.86 -36.45 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.629 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.94 -42.02 93.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.12 -50.21 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.417 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.95 -48.49 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.59 -33.48 76.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.436 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.21 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.45 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.81 63.62 4.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.42 10.92 6.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.795 0.331 . . . . 1.0 110.47 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.02 -32.35 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.636 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -58.4 -44.66 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -67.29 -37.67 83.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.618 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -5.13 85.63 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tp -70.74 -49.34 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 1.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -70.34 -27.18 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.16 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -70.37 -48.33 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -40.42 -44.0 1.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.98 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.2 pt -83.43 -28.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.355 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ALA . 50.6 t30 -107.56 42.81 1.27 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.352 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 30' ' ' ALA . 64.9 tt0 -179.69 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.548 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -63.38 4.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.221 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -37.01 -38.89 0.2 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.86 0.362 . . . . 1.0 111.166 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -64.83 -51.67 60.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 1.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ALA . 72.5 mtt180 -58.67 -38.17 77.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.344 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -60.05 -8.86 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.445 . . . . 1.0 110.637 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 32' ' ' ARG . 27.8 mm-40 -107.95 -45.28 4.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.867 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -53.76 20.65 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 108.829 -1.708 . . . . 1.0 108.829 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.2 t -56.82 -39.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.31 -7.03 0.49 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.755 0.312 . . . . 1.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.489 ' H ' ' C ' ' A' ' 36' ' ' VAL . 3.1 t -100.47 -16.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.571 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.655 0.264 . . . . 1.0 110.843 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 8.1 mp -58.9 -42.98 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.87 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.03 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.447 0.536 . . . . 1.0 112.447 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -94.23 -38.15 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 112.089 0.403 . . . . 1.0 112.089 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.8 -46.31 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.695 0.283 . . . . 1.0 110.84 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.1 -46.29 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 1.0 110.851 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.7 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.726 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.8 t -63.05 -56.49 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.146 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.92 -56.81 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.93 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.27 -154.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.218 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.23 -161.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.2 156.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.109 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' ALA . 18.5 m-20 -158.24 -141.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -43.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.446 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.3 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.375 -179.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 p -43.92 -27.7 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 1.0 110.057 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.14 92.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.059 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' ILE . 24.7 t -48.25 -40.53 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -49.29 -47.95 46.48 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 58' ' ' LEU . 7.6 mp -55.69 -41.12 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 1.5 mp -76.87 -55.54 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.141 0.495 . . . . 1.0 109.808 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -48.25 -47.88 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.83 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 p -64.69 -64.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 1.0 111.447 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.48 -24.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.411 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.8 tpp -55.55 -31.28 62.01 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.158 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 4.1 mm? -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.01 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 108.8 -0.815 . . . . 1.0 108.8 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.4 mtt -66.99 -35.12 79.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.118 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 45.0 mt -60.13 -34.63 57.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.61 -0.436 . . . . 1.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 3.4 p -90.69 -21.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.823 -0.548 . . . . 1.0 110.269 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.52 -60.91 1.66 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.619 0.247 . . . . 1.0 111.439 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' SER . 17.0 mt -65.32 -58.55 6.53 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.379 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -48.74 -42.82 36.51 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.44 -0.504 . . . . 1.0 109.784 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 29.4 m-20 -64.41 -8.05 12.02 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.436 0.636 . . . . 1.0 109.439 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -91.25 -51.3 5.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.923 179.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.64 64.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.764 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.08 -36.25 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 119.686 -0.806 . . . . 1.0 109.208 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 9.6 tm-20 -85.42 -29.36 24.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.942 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.84 -55.02 40.56 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.607 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.89 -30.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.38 -24.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.511 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' GLU . 41.2 t0 -83.17 -111.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.907 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 99.6 mtt180 -104.77 -47.46 4.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.888 0.375 . . . . 1.0 110.961 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.601 ' H ' ' CD1' ' A' ' 82' ' ' ILE . 2.0 mp -39.48 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.761 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 82' ' ' ILE . . . 123.82 40.81 0.44 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.6 p -141.26 80.95 1.76 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.96 0.41 . . . . 1.0 110.392 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -90.36 116.38 28.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.316 179.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -83.72 -26.3 29.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 88' ' ' GLU . 19.1 p-80 -84.23 -51.47 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.762 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.571 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 52.4 tt0 -42.37 137.42 2.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.644 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.81 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -86.53 46.83 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.197 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.36 166.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.287 -0.725 . . . . 1.0 111.287 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.92 -21.47 27.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.67 73.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.306 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' GLY . 14.8 ttpp -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.515 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -42.04 -35.54 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -65.99 -39.03 94.66 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.93 -29.14 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.793 0.33 . . . . 1.0 110.908 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.3 -47.18 8.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.138 -0.69 . . . . 1.0 109.138 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . -56.7 -19.95 19.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.17 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 36.3 t -72.01 -57.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 102' ' ' LEU . 3.8 mm? -71.38 -29.23 64.7 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.067 0.461 . . . . 1.0 110.935 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -28.95 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.286 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . -56.51 -41.3 76.46 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.656 0.243 . . . . 1.0 111.656 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.6 pt -61.04 -48.13 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.413 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.72 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.151 -0.62 . . . . 1.0 111.116 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 109' ' ' VAL . 3.0 t -81.14 -74.29 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.209 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.83 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.465 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 107' ' ' VAL . 27.1 t -94.88 -83.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.323 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -46.14 -32.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 111.627 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.01 -54.1 39.68 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.2 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.26 -24.58 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.38 -57.53 8.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.78 -46.02 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.936 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.0 mp -57.37 -38.69 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.84 -34.38 73.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.877 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -76.25 -25.08 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.121 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -69.88 -37.15 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 115' ' ' LEU . 4.7 m170 -66.46 -46.61 75.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.7 147.24 45.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.744 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.096 -1.391 . . . . 1.0 110.931 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -75.27 -53.93 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -76.11 136.98 39.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 27.2 m -161.42 129.9 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.6 -32.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.11 42.85 0.03 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -62.05 -34.72 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 1.0 110.569 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.88 -36.52 82.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.91 -42.01 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -67.17 -50.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.464 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.89 -48.56 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.221 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.58 -33.48 76.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.426 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.11 96.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.469 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.43 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.8 63.56 4.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.174 -0.77 . . . . 1.0 111.174 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -128.4 11.03 6.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.787 0.327 . . . . 1.0 110.432 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -58.48 -44.59 89.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -67.26 -37.68 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 -5.3 85.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.4 -49.68 46.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 1.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -70.21 -27.22 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.573 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.78 -28.32 65.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.642 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -70.22 -48.48 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.799 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -40.31 -44.03 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.058 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 pt -83.42 -28.57 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.369 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 24' ' ' ALA . 50.7 t30 -107.57 42.69 1.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' B' ' 30' ' ' ALA . 65.0 tt0 -179.62 -86.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' B' ' 32' ' ' ARG . . . -63.43 4.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.2 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -37.05 -38.81 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.826 0.346 . . . . 1.0 111.187 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -64.96 -51.65 60.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.073 0.463 . . . . 1.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 29' ' ' ALA . 72.4 mtt180 -58.62 -38.2 77.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.364 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.99 -8.84 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.03 0.443 . . . . 1.0 110.67 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 32' ' ' ARG . 27.8 mm-40 -107.97 -45.33 4.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 109.89 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.07 -53.79 20.71 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.792 -1.723 . . . . 1.0 108.792 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' B' ' 38' ' ' VAL . 48.1 t -56.7 -39.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.12 -7.07 0.45 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.83 0.347 . . . . 1.0 110.607 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' B' ' 36' ' ' VAL . 3.1 t -100.48 -16.48 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.631 0.253 . . . . 1.0 110.862 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 8.1 mp -58.92 -42.9 90.79 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.898 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.96 85.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.487 0.551 . . . . 1.0 112.487 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 m -94.32 -38.24 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.096 0.406 . . . . 1.0 112.096 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.75 -46.3 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.992 -0.283 . . . . 1.0 110.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.1 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.814 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.82 -39.64 69.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.78 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 32.5 t -63.03 -56.45 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.163 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.94 -56.77 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.953 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.3 -154.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.189 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -90.36 -161.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.12 156.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.087 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' B' ' 52' ' ' ALA . 18.3 m-20 -158.27 -141.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.774 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -42.92 166.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.489 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.623 ' N ' ' CD1' ' B' ' 53' ' ' ILE . 0.1 OUTLIER -140.33 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.347 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.0 p -43.98 -27.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 1.0 110.084 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.11 -40.15 92.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.047 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 53' ' ' ILE . 24.8 t -48.17 -40.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.424 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -49.51 -47.83 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.286 -0.566 . . . . 1.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' B' ' 58' ' ' LEU . 7.6 mp -55.7 -41.1 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.077 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' B' ' 59' ' ' ILE . 1.5 mp -76.86 -55.59 10.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.09 0.471 . . . . 1.0 109.789 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.94 34.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.75 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 41.8 p -64.72 -64.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.43 -24.33 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 36.2 tpp -55.49 -31.98 62.46 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' B' ' 64' ' ' LEU . 4.2 mm? -61.29 -41.55 97.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.68 -0.859 . . . . 1.0 108.68 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.99 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 108.862 -0.792 . . . . 1.0 108.862 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.5 mtt -66.86 -35.03 79.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.099 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' B' ' 71' ' ' LEU . 47.1 mt -60.3 -34.63 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.622 -0.431 . . . . 1.0 109.932 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 3.4 p -90.63 -21.27 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.733 -0.604 . . . . 1.0 110.307 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.57 -61.02 1.63 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.605 0.24 . . . . 1.0 111.456 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 73' ' ' SER . 17.1 mt -65.19 -58.56 6.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.944 -0.302 . . . . 1.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' B' ' 67' ' ' ILE . 0.8 OUTLIER -48.73 -42.8 36.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.861 -179.32 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 29.6 m-20 -64.36 -8.09 11.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.456 0.646 . . . . 1.0 109.483 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.549 ' N ' ' O ' ' B' ' 70' ' ' ILE . 0.7 OUTLIER -91.21 -51.35 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.874 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.63 64.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.758 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.09 -36.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.231 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 80' ' ' ASP . 9.6 tm-20 -85.37 -29.41 24.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.027 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.76 -55.06 39.95 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.617 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 -30.31 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.013 -0.736 . . . . 1.0 109.013 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 83.6 t -82.41 -24.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.192 -0.913 . . . . 1.0 109.514 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' GLU . 41.2 t0 -83.21 -111.57 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.869 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 82' ' ' ILE . 99.6 mtt180 -104.78 -47.42 4.05 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.868 0.366 . . . . 1.0 110.986 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.601 ' CD1' ' H ' ' B' ' 82' ' ' ILE . 2.0 mp -39.51 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.728 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' B' ' 82' ' ' ILE . . . 123.69 40.97 0.44 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 88.0 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.951 0.405 . . . . 1.0 110.363 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 0.8 OUTLIER -90.39 116.35 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.258 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.7 -26.27 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.385 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' B' ' 88' ' ' GLU . 19.0 p-80 -84.29 -51.36 7.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.788 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.566 ' H ' ' CD2' ' B' ' 87' ' ' HIS . 52.4 tt0 -42.5 137.46 2.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.633 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.79 -31.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.37 46.75 1.38 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.286 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 167.06 0.42 Allowed Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.91 -21.45 27.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 1.0 109.703 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.68 73.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.671 ' NZ ' ' HG ' ' B' ' 98' ' ' SER . 14.8 ttpp -66.71 -31.9 72.85 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.563 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -41.96 -35.54 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 94' ' ' LYS . . . -65.98 -39.11 94.71 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' SER . . . . . 0.671 ' HG ' ' NZ ' ' B' ' 94' ' ' LYS . 71.1 m -48.03 -29.03 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.937 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.41 -47.14 8.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' B' ' 104' ' ' ALA . . . -56.67 -20.0 19.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.17 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 35.6 t -71.95 -57.91 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.673 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 102' ' ' LEU . 3.8 mm? -71.4 -29.2 64.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.092 0.473 . . . . 1.0 110.906 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.84 -29.03 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' B' ' 100' ' ' ALA . . . -56.45 -41.33 76.29 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.691 0.256 . . . . 1.0 111.691 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 4.6 pt -61.01 -48.25 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.14 -0.624 . . . . 1.0 110.371 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 pt -75.41 -30.69 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 120.226 -0.59 . . . . 1.0 111.209 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' B' ' 109' ' ' VAL . 3.0 t -81.27 -74.25 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.231 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.422 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 107' ' ' VAL . 27.8 t -94.92 -82.89 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.292 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mm -46.3 -32.44 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.555 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.03 -54.07 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.32 -24.55 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.37 -57.55 8.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.563 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.83 -45.99 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.857 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 10.0 mp -57.41 -38.65 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -59.86 -34.34 73.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.903 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.28 -25.06 54.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.134 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -69.98 -36.99 75.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' B' ' 115' ' ' LEU . 4.6 m170 -66.5 -46.5 76.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.703 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.83 147.19 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 118.013 -1.437 . . . . 1.0 110.928 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.408 ' H2 ' ' H ' ' C' ' 2' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.408 ' H ' ' H2 ' ' C' ' 1' ' ' ALA . 7.9 m-80 -75.33 -53.93 7.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.555 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -76.11 137.03 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 27.1 m -161.41 129.93 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.538 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.66 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.592 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.15 42.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -62.12 -34.76 76.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 1.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.9 -36.46 82.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.95 -41.97 93.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.22 -50.15 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.82 -48.58 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.228 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.71 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.428 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.17 96.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.4 31.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.528 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.77 63.65 4.62 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.162 -0.775 . . . . 1.0 111.162 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -128.43 10.93 6.27 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.749 0.309 . . . . 1.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.07 -32.26 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.676 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -58.45 -44.62 89.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -67.32 -37.57 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.63 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.59 -5.1 85.83 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.66 -49.38 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -70.36 -27.16 64.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.544 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.15 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -70.37 -48.27 57.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -40.35 -43.98 1.86 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 41.2 pt -83.5 -28.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.376 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' C' ' 24' ' ' ALA . 50.9 t30 -107.55 42.74 1.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.41 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' C' ' 30' ' ' ALA . 64.8 tt0 -179.68 -86.09 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.538 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' C' ' 32' ' ' ARG . . . -63.4 4.39 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -37.04 -38.87 0.21 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.891 0.377 . . . . 1.0 111.12 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -64.91 -51.74 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.12 0.486 . . . . 1.0 109.766 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' C' ' 29' ' ' ALA . 72.5 mtt180 -58.48 -38.42 77.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.329 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.87 -8.87 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 1.0 110.658 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -107.97 -45.27 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.87 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.29 -53.49 21.37 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 108.798 -1.721 . . . . 1.0 108.798 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' C' ' 38' ' ' VAL . 48.1 t -56.86 -39.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.995 -0.372 . . . . 1.0 109.995 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.3 -7.12 0.51 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.823 0.344 . . . . 1.0 110.664 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' C' ' 36' ' ' VAL . 2.7 t -100.61 -16.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.377 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.98 -56.55 3.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 120.65 0.262 . . . . 1.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 8.1 mp -58.99 -42.89 91.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.91 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.1 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.429 0.529 . . . . 1.0 112.429 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -94.21 -38.19 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.81 -46.25 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.883 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 94.2 mt -61.1 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.863 -0.335 . . . . 1.0 110.833 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.83 -39.65 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.698 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 31.8 t -63.05 -56.45 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.124 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.98 -56.72 17.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.99 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.34 -154.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.206 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.32 -161.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.09 156.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.018 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' C' ' 52' ' ' ALA . 18.3 m-20 -158.16 -141.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.74 0.305 . . . . 1.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -43.09 166.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.628 ' CD1' ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -140.37 24.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.398 -179.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 75.9 p -43.92 -27.72 0.38 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.145 0.497 . . . . 1.0 110.124 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.08 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.082 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' C' ' 53' ' ' ILE . 24.9 t -48.13 -40.51 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.442 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.39 -47.91 47.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.182 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' C' ' 58' ' ' LEU . 7.6 mp -55.7 -41.0 73.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.087 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' C' ' 59' ' ' ILE . 1.5 mp -76.93 -55.59 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.199 0.523 . . . . 1.0 109.747 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.98 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.729 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 35.1 p -64.74 -64.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 1.0 111.39 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.46 -24.36 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.423 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 36.5 tpp -55.48 -31.87 62.36 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 4.2 mm? -61.3 -41.6 97.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.02 -36.22 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.88 -0.785 . . . . 1.0 108.88 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.5 mtt -66.88 -34.93 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.12 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 46.8 mt -60.41 -34.53 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 C-N-CA 120.512 -0.475 . . . . 1.0 109.982 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 3.4 p -90.71 -21.17 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.75 -0.593 . . . . 1.0 110.281 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.68 -60.89 1.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.533 0.206 . . . . 1.0 111.404 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' C' ' 73' ' ' SER . 17.1 mt -65.41 -58.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' C' ' 67' ' ' ILE . 0.8 OUTLIER -48.83 -42.75 37.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.35 -0.54 . . . . 1.0 109.848 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 29.5 m-20 -64.29 -8.2 12.03 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.439 0.637 . . . . 1.0 109.43 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 70' ' ' ILE . 0.7 OUTLIER -91.18 -51.26 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.924 -1.035 . . . . 1.0 109.979 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.56 65.11 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.72 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 26.6 pt -50.2 -36.26 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.747 -0.781 . . . . 1.0 109.185 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' C' ' 80' ' ' ASP . 9.6 tm-20 -85.34 -29.37 24.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.88 -54.91 41.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.632 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 p -53.97 -30.3 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.993 -0.743 . . . . 1.0 108.993 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.35 -24.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.552 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' C' ' 76' ' ' GLU . 41.0 t0 -83.19 -111.52 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.901 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 99.6 mtt180 -104.85 -47.45 4.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.837 0.351 . . . . 1.0 110.886 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.604 ' H ' ' CD1' ' C' ' 82' ' ' ILE . 2.0 mp -39.51 161.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.71 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.482 ' N ' ' CG2' ' C' ' 82' ' ' ILE . . . 123.85 40.86 0.44 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.189 -1.164 . . . . 1.0 110.189 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.917 0.389 . . . . 1.0 110.341 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' C' ' 85' ' ' GLU . 0.8 OUTLIER -90.35 116.34 28.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.337 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -83.64 -26.37 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.405 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' C' ' 88' ' ' GLU . 19.0 p-80 -84.27 -51.41 7.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.78 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.56 ' H ' ' CD2' ' C' ' 87' ' ' HIS . 52.6 tt0 -42.28 137.36 2.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tp -175.81 -31.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.52 46.83 1.39 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.271 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.4 166.98 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.263 -0.735 . . . . 1.0 111.263 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.87 -21.59 27.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.69 73.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -66.81 -31.84 72.74 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.541 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -42.04 -35.47 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 50.3 mtt -73.5 -45.65 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.89 -39.08 94.84 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.98 -29.09 3.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 1.0 110.948 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.39 -47.17 8.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' C' ' 104' ' ' ALA . . . -56.59 -20.09 19.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.145 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 35.4 t -71.95 -57.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.642 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' C' ' 102' ' ' LEU . 3.8 mm? -71.37 -29.19 64.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.088 0.47 . . . . 1.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -29.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' C' ' 100' ' ' ALA . . . -56.53 -41.22 76.42 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.704 0.261 . . . . 1.0 111.704 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 4.6 pt -61.15 -48.07 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.352 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.66 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.218 -0.593 . . . . 1.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' C' ' 109' ' ' VAL . 3.0 t -81.22 -74.3 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.217 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.45 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' C' ' 107' ' ' VAL . 27.9 t -94.92 -83.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.297 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.9 mm -46.22 -32.39 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.662 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.04 -54.03 40.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -55.28 -24.65 29.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.29 -57.58 8.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.91 -45.95 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 10.0 mp -57.4 -38.71 74.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.86 -34.29 72.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.918 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -76.33 -25.01 54.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.133 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 30.6 t -69.9 -37.13 75.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.5 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' C' ' 115' ' ' LEU . 4.6 m170 -66.34 -46.7 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.701 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -72.66 147.19 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.683 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.97 -1.461 . . . . 1.0 110.872 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.49 -6.27 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' THR . 6.4 p30 -164.94 55.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 m -56.98 85.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' ASN . 28.6 m -162.21 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.92 -11.61 83.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -60.04 -28.52 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 1.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -59.74 -39.26 84.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.5 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ALA . 14.8 tpt180 -69.25 -40.51 77.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.96 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mm -61.4 -50.14 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.02 -41.07 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.16 -35.92 81.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.12 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -63.24 -32.24 73.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -22.92 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' SER . . . 60.17 9.9 13.23 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 38.71 26.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.332 . . . . 1.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' GLY . 20.6 m -60.48 -40.93 93.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.605 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -50.64 -37.52 41.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -66.94 -36.83 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.14 -28.92 55.12 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.57 -37.62 88.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 1.0 110.554 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.646 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 3.8 mmp_? -68.14 -39.76 82.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.23 69.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.05 -30.42 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.293 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -49.53 67.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.367 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -65.55 -21.69 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 1.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.54 42.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 29.8 tt0 -177.77 -90.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.16 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.91 4.48 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.548 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.46 -33.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.768 0.318 . . . . 1.0 111.189 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.4 -49.83 6.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.035 0.445 . . . . 1.0 110.781 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' NH2' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -63.26 -24.66 67.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.042 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 35' ' ' GLY . 8.3 tp-100 -59.49 -57.48 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.66 -25.64 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.605 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -91.57 -48.62 3.17 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.67 -34.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.802 -0.234 . . . . 1.0 111.02 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -63.31 -72.05 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.761 0.315 . . . . 1.0 110.335 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 3.8 p -39.64 -17.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.263 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.9 tp -90.36 -47.07 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 37' ' ' ALA . 83.8 mt -69.02 -34.72 75.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.0 110.526 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -61.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 34.3 m -47.76 -38.15 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.933 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.27 -43.48 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.81 -47.6 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.172 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -39.17 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.362 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 48' ' ' LEU . 41.2 t -60.72 -48.47 81.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.76 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -49.37 -17.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.194 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' CYS . 0.8 OUTLIER 179.6 93.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.86 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.5 90.88 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.41 ' C ' ' HG ' ' C' ' 118' ' ' SER . 98.7 t -152.02 92.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.438 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.38 144.92 34.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.161 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.16 -76.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.597 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 56' ' ' VAL . 21.5 tt -173.2 -36.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 60.8 m -34.58 -29.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.709 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.7 tmt_? -79.4 -48.24 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.412 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 53' ' ' ILE . 83.7 t -71.39 -37.68 65.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.172 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.82 -49.79 28.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 2.6 mm? -47.1 -45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.566 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -49.53 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.45 -55.13 14.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.959 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 24.8 p -63.96 -58.29 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 1.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' N ' ' OG ' ' A' ' 61' ' ' SER . 64.1 t -49.95 -29.05 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.578 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.549 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.55 -32.09 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.733 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.57 -47.71 66.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.063 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -66.23 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.1 mtt -66.71 -33.21 75.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 tp -47.66 -39.95 7.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.218 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -89.89 -20.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -92.15 -62.35 1.43 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.345 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' SER . 38.8 mt -64.67 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.297 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.15 -43.49 31.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.982 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' OD1' ' OG ' ' C' ' 84' ' ' SER . 15.3 t30 -64.23 -10.34 22.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.234 0.54 . . . . 1.0 109.718 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t -89.43 -52.48 5.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.338 -0.846 . . . . 1.0 108.855 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.06 70.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.121 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.89 -38.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.276 -0.875 . . . . 1.0 108.948 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ASP . 30.2 mm-40 -85.55 -23.85 27.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.422 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -53.47 57.99 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.454 -0.499 . . . . 1.0 109.91 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.66 -32.01 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.087 -0.708 . . . . 1.0 109.087 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.76 -24.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.041 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 m-20 -79.56 -106.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.161 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -104.01 -57.62 2.01 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.949 -0.3 . . . . 1.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.565 ' CG2' ' H ' ' A' ' 83' ' ' GLY . 2.0 tp 161.54 -63.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 124.016 0.823 . . . . 1.0 109.668 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.565 ' H ' ' CG2' ' A' ' 82' ' ' ILE . . . 58.96 -143.03 45.93 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.66 -0.976 . . . . 1.0 110.66 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.425 ' OG ' ' OD1' ' B' ' 72' ' ' ASN . 24.1 p 47.18 -176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 1.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -50.32 115.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 63.0 t80 -83.78 -14.5 51.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' O ' ' O ' ' A' ' 88' ' ' GLU . 70.8 m-70 -55.29 -63.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.093 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 87' ' ' HIS . 34.1 tt0 46.87 104.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.735 0.302 . . . . 1.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 91' ' ' GLY . 2.0 pp -177.93 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.102 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 91' ' ' GLY . 17.8 m -72.45 28.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.304 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.28 169.28 0.03 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.83 -27.97 26.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 1.0 110.102 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.21 74.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.73 -29.14 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.689 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.07 -44.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.313 . . . . 1.0 111.185 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 35.0 mmm -72.46 -45.21 60.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.738 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -65.38 -39.49 95.86 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.563 -0.615 . . . . 1.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.75 -31.29 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.774 -0.251 . . . . 1.0 111.104 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.3 -48.45 8.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -65.08 -21.21 66.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.615 . . . . 1.0 111.494 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.2 t -64.1 -66.23 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.786 0.327 . . . . 1.0 110.286 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.1 mt -52.67 -45.6 66.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.704 0.764 . . . . 1.0 109.997 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 106' ' ' ILE . 21.0 mt -70.66 -24.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -38.1 -49.61 1.32 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.074 0.464 . . . . 1.0 110.83 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 82.2 mt -66.16 -38.6 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.851 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.8 mt -75.5 -61.94 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 120.492 -0.483 . . . . 1.0 111.613 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.674 ' CG1' ' H ' ' A' ' 108' ' ' ALA . 7.5 p -50.13 -75.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.359 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.674 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . -35.35 -30.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.896 0.332 . . . . 1.0 111.896 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 107' ' ' VAL . 77.7 t -84.86 -76.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.33 -23.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.085 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 74.5 m -58.56 -52.89 63.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.966 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.5 ' CD2' ' O ' ' A' ' 108' ' ' ALA . 4.6 m0 -76.48 -26.95 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.489 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 8.3 m -64.75 -59.15 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.468 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.18 -42.16 93.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.473 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.83 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 7.8 tp -65.85 -38.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.24 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.422 ' N ' ' CD1' ' A' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.77 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 1.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.04 -34.17 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.543 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.683 ' HD1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.17 -17.92 63.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.833 -179.236 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.683 ' N ' ' HD1' ' A' ' 119' ' ' HIS . 52.8 t80 51.84 175.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.32 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.498 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.705 0 CA-C-O 118.039 -1.423 . . . . 1.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.44 -6.28 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.539 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' B' ' 5' ' ' THR . 6.4 p30 -164.95 55.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.0 m -57.0 85.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.449 ' N ' ' O ' ' B' ' 3' ' ' ASN . 28.5 m -162.18 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.59 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.85 -11.54 83.49 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -60.1 -28.49 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 110.385 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.4 t -59.63 -39.33 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.513 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -69.16 -40.58 78.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.44 -50.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.804 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.1 pt -71.98 -41.06 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.161 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.05 -35.92 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.24 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.17 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -22.79 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.635 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' B' ' 17' ' ' SER . . . 60.05 9.91 12.74 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 38.79 26.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.831 0.348 . . . . 1.0 111.017 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 15' ' ' GLY . 20.4 m -60.39 -40.92 92.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.634 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -50.58 -37.55 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.99 -36.88 83.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.04 -28.94 54.76 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.6 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 1.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.645 ' N ' ' HE ' ' B' ' 22' ' ' ARG . 3.8 mmp_? -68.0 -39.77 83.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.547 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.04 -35.34 69.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -30.38 67.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.328 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.03 -49.65 66.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.585 -0.279 . . . . 1.0 110.364 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -65.36 -21.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.0 110.673 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.57 42.53 1.38 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' B' ' 32' ' ' ARG . 29.7 tt0 -177.72 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.059 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.77 4.43 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.587 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.68 -33.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.782 0.325 . . . . 1.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.42 -49.77 7.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.063 0.459 . . . . 1.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -63.39 -24.47 67.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.001 -179.349 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -41.75 -25.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -91.56 -48.56 3.19 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.69 -34.07 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.797 -0.237 . . . . 1.0 111.05 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -63.26 -72.03 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 1.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 3.7 p -39.73 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.298 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.9 tp -90.39 -47.11 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' B' ' 37' ' ' ALA . 83.6 mt -68.95 -34.71 75.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.98 -1.009 . . . . 1.0 110.505 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.87 -61.48 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 34.4 m -47.73 -38.07 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.983 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 t -55.3 -43.48 71.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.92 -47.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.171 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.19 66.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' B' ' 48' ' ' LEU . 41.1 t -60.68 -48.42 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.808 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -49.44 -17.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.169 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 46' ' ' CYS . 0.8 OUTLIER 179.69 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.821 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.51 90.98 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.9 t -152.12 92.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.26 144.9 34.93 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.215 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -76.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.609 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 56' ' ' VAL . 21.4 tt -173.09 -36.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 61.0 m -34.59 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.696 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 53' ' ' ILE . 1.7 tmt_? -79.44 -48.33 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.4 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' B' ' 53' ' ' ILE . 84.4 t -71.35 -37.6 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.188 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.91 -49.76 28.93 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.412 ' O ' ' CG2' ' B' ' 62' ' ' VAL . 2.6 mm? -46.98 -45.49 20.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.574 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.65 -49.59 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.357 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -49.51 -55.06 14.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.936 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 24.6 p -63.93 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 1.0 110.344 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.448 ' N ' ' OG ' ' B' ' 61' ' ' SER . 65.5 t -49.92 -29.01 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 30.5 ttp -58.58 -32.08 68.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.467 -0.493 . . . . 1.0 109.729 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.019 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 t -66.18 -37.53 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.49 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' B' ' 70' ' ' ILE . 42.9 mtt -66.78 -33.19 75.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 tp -47.65 -39.95 7.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.152 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -89.89 -21.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 121.092 -0.243 . . . . 1.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.13 -62.4 1.42 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 121.142 -0.223 . . . . 1.0 111.374 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 38.3 mt -64.61 -59.23 4.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.298 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.23 -43.24 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.186 -0.606 . . . . 1.0 110.085 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.425 ' OD1' ' OG ' ' A' ' 84' ' ' SER . 15.4 t30 -64.33 -10.33 23.58 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.264 0.554 . . . . 1.0 109.734 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.3 t -89.43 -52.45 5.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.304 -0.862 . . . . 1.0 108.875 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.12 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.127 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.88 -38.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 1.0 109.04 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.82 27.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.519 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.54 57.17 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.942 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.57 -32.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.128 -0.693 . . . . 1.0 109.128 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.81 -23.98 9.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.083 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.8 m-20 -79.54 -106.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.124 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.97 -57.68 2.0 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.793 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.559 ' CG2' ' H ' ' B' ' 83' ' ' GLY . 1.9 tp 161.57 -63.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.035 0.834 . . . . 1.0 109.665 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.559 ' H ' ' CG2' ' B' ' 82' ' ' ILE . . . 58.86 -142.88 45.8 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.421 ' OG ' ' OD1' ' C' ' 72' ' ' ASN . 23.7 p 47.02 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 1.0 110.917 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' B' ' 86' ' ' TYR . 62.9 t80 -83.76 -14.61 51.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' B' ' 88' ' ' GLU . 71.0 m-70 -55.29 -63.24 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.096 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 87' ' ' HIS . 34.1 tt0 46.89 104.34 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.681 0.277 . . . . 1.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 2.0 pp -178.01 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.043 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 91' ' ' GLY . 17.6 m -72.47 28.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.314 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.2 169.32 0.03 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -84.8 -27.98 26.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.07 0.462 . . . . 1.0 110.065 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.22 -50.16 74.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.001 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.75 -29.18 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.658 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -39.96 -45.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 1.0 111.212 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 35.4 mmm -72.43 -45.26 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 101' ' ' VAL . . . -65.35 -39.48 95.9 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.597 -0.601 . . . . 1.0 111.597 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.76 -31.31 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.714 0.293 . . . . 1.0 111.121 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.22 -48.47 8.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -65.09 -21.22 66.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.54 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 97' ' ' GLY . 6.2 t -64.18 -66.22 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.56 -45.74 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.752 0.787 . . . . 1.0 109.984 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 106' ' ' ILE . 20.6 mt -70.62 -24.31 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -38.28 -49.45 1.39 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.968 0.413 . . . . 1.0 110.807 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 82.8 mt -66.24 -38.66 82.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.805 -0.634 . . . . 1.0 109.77 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.39 -62.07 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.548 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.682 ' CG1' ' H ' ' B' ' 108' ' ' ALA . 7.5 p -50.09 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.351 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.682 ' H ' ' CG1' ' B' ' 107' ' ' VAL . . . -35.51 -30.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.472 ' O ' ' SG ' ' B' ' 113' ' ' CYS . 77.9 t -84.96 -76.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.862 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.27 -23.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.06 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 75.3 m -58.56 -52.89 63.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.986 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . 0.501 ' CD2' ' O ' ' B' ' 108' ' ' ALA . 4.6 m0 -76.37 -27.06 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.54 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 8.3 m -64.77 -59.11 4.6 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.553 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.07 -42.32 94.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.453 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 6.6 tp -66.01 -38.5 88.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.254 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . 0.433 ' N ' ' CD1' ' B' ' 117' ' ' TRP . 36.6 m0 -61.9 -22.73 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 1.0 110.374 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -79.95 -34.2 38.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.687 ' HD1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.97 63.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.87 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.687 ' N ' ' HD1' ' B' ' 119' ' ' HIS . 52.8 t80 51.89 175.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.261 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.497 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 118.005 -1.442 . . . . 1.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.35 -6.39 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' C' ' 5' ' ' THR . 6.4 p30 -164.94 55.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.478 ' C ' ' HG1' ' C' ' 5' ' ' THR . 8.9 m -57.02 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.603 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.478 ' HG1' ' C ' ' C' ' 4' ' ' THR . 28.4 m -162.14 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.683 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.02 -11.44 83.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.369 . . . . 1.0 110.416 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 15.4 t -59.75 -39.28 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -69.22 -40.53 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.404 HG21 HD11 ' C' ' 10' ' ' ILE . 18.5 mm -61.47 -50.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.744 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.06 -41.02 67.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.161 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.09 -35.91 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.203 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.91 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.556 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' C' ' 17' ' ' SER . . . 60.16 9.9 13.22 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 38.69 26.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.978 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 15' ' ' GLY . 20.3 m -60.6 -40.83 93.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -50.59 -37.53 40.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -66.93 -36.9 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -28.79 54.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.68 -37.63 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.763 0.315 . . . . 1.0 110.457 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.646 ' HE ' ' N ' ' C' ' 22' ' ' ARG . 3.8 mmp_? -68.12 -39.84 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.23 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.674 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.29 67.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -49.63 66.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.342 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 pt -65.41 -21.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 1.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -108.53 42.58 1.37 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.522 ' O ' ' NH2' ' C' ' 32' ' ' ARG . 29.8 tt0 -177.7 -90.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.881 0.372 . . . . 1.0 111.122 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.83 4.56 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.633 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.72 -33.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.736 0.303 . . . . 1.0 111.151 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.35 -49.94 6.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.088 0.47 . . . . 1.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -63.3 -24.49 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.05 -179.272 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' C' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.55 12.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.5 -25.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -91.4 -48.64 3.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.59 -34.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 122.809 -0.23 . . . . 1.0 111.026 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -63.26 -72.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 1.0 110.33 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 3.8 p -39.69 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.725 -0.671 . . . . 1.0 111.363 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.1 tp -90.5 -46.97 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' C' ' 37' ' ' ALA . 83.7 mt -68.95 -34.81 75.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.504 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.85 -61.37 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.528 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 34.4 m -47.84 -38.11 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.92 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 16.7 t -55.19 -43.57 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.76 -47.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 1.0 110.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.17 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.34 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' C' ' 48' ' ' LEU . 40.8 t -60.58 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.855 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -49.43 -17.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.178 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' C' ' 46' ' ' CYS . 0.8 OUTLIER 179.67 93.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.854 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.52 90.97 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -152.02 92.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.35 144.92 34.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.27 -76.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' C' ' 56' ' ' VAL . 21.4 tt -173.23 -36.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' THR . . . . . 0.412 ' C ' ' O ' ' C' ' 53' ' ' ILE . 60.3 m -34.68 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.814 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' C' ' 53' ' ' ILE . 1.6 tmt_? -79.47 -48.24 14.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.382 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' C' ' 53' ' ' ILE . 83.3 t -71.42 -37.72 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.133 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.74 -49.82 27.12 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.407 ' O ' ' CG2' ' C' ' 62' ' ' VAL . 2.6 mm? -47.06 -45.37 21.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.611 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.76 -49.51 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.368 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.5 -55.08 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 24.7 p -63.95 -58.32 7.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . 0.456 ' N ' ' OG ' ' C' ' 61' ' ' SER . 64.3 t -49.91 -29.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.574 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.54 -32.09 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -68.6 -47.77 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.023 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.18 -37.62 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.431 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.435 ' O ' ' N ' ' C' ' 70' ' ' ILE . 43.1 mtt -66.69 -33.21 75.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 tp -47.71 -39.94 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.131 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 p -89.94 -20.98 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.11 -62.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 121.079 -0.248 . . . . 1.0 111.376 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' C' ' 73' ' ' SER . 39.0 mt -64.51 -59.3 4.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.257 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.22 -43.34 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.296 -0.562 . . . . 1.0 110.076 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.421 ' OD1' ' OG ' ' B' ' 84' ' ' SER . 15.0 t30 -64.3 -10.35 23.48 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.222 0.534 . . . . 1.0 109.67 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.3 t -89.34 -52.6 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.378 -0.828 . . . . 1.0 108.854 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.06 71.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.113 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.79 -38.25 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.347 -0.842 . . . . 1.0 109.04 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' C' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.88 27.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.027 -0.269 . . . . 1.0 110.474 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.36 -53.45 58.17 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.46 -0.496 . . . . 1.0 109.899 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.6 -32.15 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.73 -24.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 m-20 -79.52 -106.44 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.13 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -103.98 -57.62 2.01 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.763 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.573 ' CG2' ' H ' ' C' ' 83' ' ' GLY . 2.0 tp 161.49 -63.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 124.03 0.831 . . . . 1.0 109.677 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.573 ' H ' ' CG2' ' C' ' 82' ' ' ILE . . . 58.95 -143.01 45.92 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 72' ' ' ASN . 23.6 p 47.16 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 1.0 110.935 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.53 1.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.034 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 62.9 t80 -83.75 -14.58 51.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' C' ' 88' ' ' GLU . 70.6 m-70 -55.29 -63.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.155 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 87' ' ' HIS . 34.1 tt0 46.85 104.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.695 0.283 . . . . 1.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' C' ' 91' ' ' GLY . 2.0 pp -177.9 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.08 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' SER . . . . . 0.433 ' O ' ' O ' ' C' ' 91' ' ' GLY . 17.1 m -72.44 28.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.332 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.32 169.29 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.75 -28.1 26.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.073 0.463 . . . . 1.0 110.142 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.14 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.654 . . . . 1.0 111.09 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -66.74 -29.2 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.67 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.09 -44.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 1.0 111.224 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 35.5 mmm -72.6 -45.22 60.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' C' ' 101' ' ' VAL . . . -65.27 -39.58 96.08 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.51 -0.636 . . . . 1.0 111.51 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.64 -31.48 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 1.0 111.07 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.19 -48.39 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -65.28 -21.03 66.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.496 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' C' ' 97' ' ' GLY . 6.3 t -64.17 -66.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.743 0.306 . . . . 1.0 110.255 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.6 -45.66 66.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.689 0.757 . . . . 1.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 106' ' ' ILE . 20.5 mt -70.57 -24.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -38.23 -49.42 1.37 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.97 0.414 . . . . 1.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 82.4 mt -66.35 -38.5 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.817 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' C' ' 103' ' ' ILE . 8.1 mt -75.52 -61.97 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.521 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.681 ' CG1' ' H ' ' C' ' 108' ' ' ALA . 7.5 p -50.22 -74.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.363 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.681 ' H ' ' CG1' ' C' ' 107' ' ' VAL . . . -35.41 -30.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.905 0.335 . . . . 1.0 111.905 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' C' ' 107' ' ' VAL . 79.8 t -84.79 -77.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.892 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.21 -23.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.072 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 76.3 m -58.52 -52.93 63.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.027 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . 0.498 ' CD2' ' O ' ' C' ' 108' ' ' ALA . 4.6 m0 -76.49 -26.89 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.483 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 8.5 m -64.87 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.48 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.17 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.413 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.71 -30.94 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 6.7 tp -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.214 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' C' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.79 65.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 1.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.41 ' HG ' ' C ' ' A' ' 50' ' ' VAL . 7.9 t -80.0 -34.27 38.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.535 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.677 ' HD1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.91 63.93 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.831 -179.27 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.677 ' N ' ' HD1' ' C' ' 119' ' ' HIS . 52.8 t80 51.89 175.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.246 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.501 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.03 -1.428 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.65 -51.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.525 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 2.3 m-20 -77.14 -167.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.64 65.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -78.01 -39.04 43.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.16 14.41 0.06 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 1.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 p -58.71 -37.65 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.37 -39.17 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.399 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.28 -48.26 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.86 -49.05 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.185 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.77 -38.02 87.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.4 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.65 70.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.62 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 -14.6 58.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.804 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.15 1.85 68.13 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.333 -0.707 . . . . 1.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -82.71 -22.22 34.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.534 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -55.49 -29.72 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -52.11 -38.92 58.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.65 -41.98 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.91 -27.2 71.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -49.61 76.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 1.0 110.142 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.44 -37.28 70.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.24 -27.75 62.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -51.59 -30.91 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.823 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CD1' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -47.81 -45.85 30.16 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.973 0.416 . . . . 1.0 110.02 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -60.54 -16.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.372 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.2 m120 -106.66 43.37 1.16 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.37 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.463 179.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' H ' ' CG ' ' A' ' 28' ' ' GLU . . . -60.03 2.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.504 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -40.63 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -89.22 -45.91 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.21 0.528 . . . . 1.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.518 -0.764 . . . . 1.0 109.673 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 36.8 tp60 -59.93 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.508 -0.769 . . . . 1.0 109.96 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.0 -22.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.678 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.63 -55.35 1.55 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.868 -0.606 . . . . 1.0 112.216 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.59 -34.46 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 122.343 -0.504 . . . . 1.0 110.666 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -59.65 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.219 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -39.05 -18.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.27 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tt -87.87 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ALA . 4.0 mm? -66.21 -36.64 83.6 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.25 64.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.012 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 38' ' ' VAL . 44.1 t -89.52 -37.53 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.81 -47.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.521 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -73.23 -47.23 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.478 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' N ' ' CG2' ' A' ' 44' ' ' ILE . . . -60.52 -39.38 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.604 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.45 -51.41 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.194 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.76 -54.08 50.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.202 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 10.4 mp -82.84 -170.69 3.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.016 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.2 p-10 -71.53 -122.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.496 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 11.3 p -158.31 149.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.406 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.25 177.04 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 -139.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.726 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -97.73 -28.69 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.381 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.5 p -38.0 -40.24 0.46 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.854 0.359 . . . . 1.0 111.134 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.06 -40.58 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.061 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ILE . 46.7 t -61.69 -37.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.492 ' CD1' ' HG ' ' A' ' 61' ' ' SER . 0.4 OUTLIER -48.0 -53.05 17.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -49.86 -52.12 35.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 63' ' ' MET . 14.5 mm -61.67 -25.75 37.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.202 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -76.22 -52.25 10.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.282 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.492 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 44.3 m -64.13 -59.57 4.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.999 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.56 -35.54 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.705 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.2 mmt -58.52 -39.24 79.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.19 -37.98 84.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -68.41 -37.05 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.8 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.99 39.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.248 -0.433 . . . . 1.0 112.017 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.7 -23.9 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.083 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 66' ' ' MET . 86.8 t -90.84 -33.23 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 1.0 110.443 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' MET . 28.1 tp10 -94.76 -51.9 4.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.071 -178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 8.9 tt -67.55 -53.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 70' ' ' ILE . 2.2 tp -54.17 -35.59 62.45 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.124 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' O ' ' OE1' ' C' ' 88' ' ' GLU . 55.3 t30 -72.76 -12.67 61.1 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.235 0.541 . . . . 1.0 109.763 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -91.5 -52.16 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.411 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.66 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -52.84 -40.0 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.699 -0.8 . . . . 1.0 109.587 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 80' ' ' ASP . 21.1 tt0 -82.39 -23.92 34.7 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.33 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.0 -51.58 69.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.8 t -52.88 -32.7 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.18 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.62 -24.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.111 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 63.0 m-20 -78.1 -102.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 60.5 ttt-85 -100.78 -10.0 21.2 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.8 tt 34.93 98.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.919 0.39 . . . . 1.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -128.77 -178.86 15.58 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 21.1 p 58.35 38.33 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 110.468 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.14 -71.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.655 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.429 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 72.7 m-85 -51.51 -16.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.54 -10.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' B' ' 72' ' ' ASN . 87.7 mt-10 -125.15 87.63 2.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.695 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 91' ' ' GLY . 19.3 mt -101.7 -23.18 14.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.359 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -74.17 36.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.99 167.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -22.49 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.55 -50.28 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.8 -29.27 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.12 -40.24 2.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.852 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 96' ' ' MET . 2.2 mpp? -70.56 -43.72 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.14 -36.54 93.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.14 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.717 0.294 . . . . 1.0 110.836 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.17 -50.28 4.89 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.34 -26.11 38.82 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.76 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 25.1 t -69.39 -59.2 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.1 mt -50.42 -44.19 55.1 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.007 -0.677 . . . . 1.0 110.589 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 9.7 pt -78.55 -26.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 1.0 111.315 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . . . -36.79 -48.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.956 0.408 . . . . 1.0 110.852 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -69.39 -38.51 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.985 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.9 mt -75.14 -61.44 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.505 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.677 ' CG1' ' H ' ' A' ' 108' ' ' ALA . 13.5 p -47.6 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 121.083 -0.247 . . . . 1.0 111.04 -178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.677 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . -39.55 -26.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.84 0.291 . . . . 1.0 111.422 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' VAL . 99.4 t -92.84 -81.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.19 -37.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.289 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 14.4 m -59.15 -49.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.884 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.8 -31.22 69.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.135 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.73 -58.81 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.262 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 1.2 mp -67.43 -39.89 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.4 tp -55.69 -31.03 62.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 0.9 OUTLIER -67.67 -30.91 70.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.917 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -56.99 -20.65 25.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 120' ' ' PHE . 8.2 t -59.84 -29.98 68.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.287 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -63.35 -0.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.728 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 118' ' ' SER . 70.5 t80 -81.91 -93.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.408 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.219 -0.788 0 CA-C-O 118.036 -1.424 . . . . 1.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.58 -51.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.413 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 2.3 m-20 -77.29 -167.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.494 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.62 65.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -78.06 -38.97 43.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.598 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.2 14.41 0.06 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.48 -33.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.302 . . . . 1.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -58.81 -37.56 76.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.47 -39.15 75.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.346 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.26 -48.23 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.308 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -61.95 -49.05 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.174 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.75 -38.01 87.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.406 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.69 70.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.604 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 -14.67 58.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.786 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.1 1.84 67.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -82.71 -22.31 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 1.0 110.497 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -55.4 -29.8 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.646 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -51.97 -38.97 58.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -57.73 -41.86 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.08 -27.1 70.89 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.16 -49.6 76.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 1.0 110.162 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.37 -37.34 69.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.672 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.71 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.93 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . 0.427 ' CD1' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -47.92 -45.72 31.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.997 0.427 . . . . 1.0 110.055 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.63 -16.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.7 43.42 1.16 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.379 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 30' ' ' ALA . 0.4 OUTLIER 171.36 -93.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.527 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.464 ' H ' ' CG ' ' B' ' 28' ' ' GLU . . . -60.08 2.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.527 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -40.5 -29.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.891 0.377 . . . . 1.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -89.24 -45.91 9.18 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 110.167 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -65.84 -22.47 66.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.711 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.427 ' OE1' ' CD1' ' B' ' 25' ' ' TRP . 36.8 tp60 -59.99 -62.08 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.921 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.06 -22.43 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.349 -0.54 . . . . 1.0 110.606 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.59 -55.25 1.57 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.29 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.74 -34.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 122.368 -0.489 . . . . 1.0 110.543 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -59.6 -64.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.229 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' B' ' 42' ' ' VAL . 0.3 OUTLIER -38.98 -18.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.272 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.2 tt -87.72 -54.44 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 178.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' ALA . 4.0 mm? -65.95 -36.8 84.34 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.445 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.22 65.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' B' ' 38' ' ' VAL . 44.2 t -89.49 -37.57 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.84 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.7 -48.04 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.476 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -73.17 -47.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.495 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' B' ' 44' ' ' ILE . . . -60.53 -39.43 87.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.579 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 39.2 t -64.38 -51.45 63.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.259 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.71 -54.03 50.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.258 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' B' ' 48' ' ' LEU . 10.4 mp -82.96 -170.65 3.13 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.3 p-10 -71.56 -122.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.464 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 11.3 p -158.27 149.2 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.374 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.29 177.07 7.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -97.8 -28.46 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.398 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.4 p -38.23 -40.18 0.49 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.819 0.342 . . . . 1.0 111.091 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.05 -40.51 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.11 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' B' ' 53' ' ' ILE . 46.6 t -61.77 -37.1 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.654 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.14 -53.01 18.19 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -49.85 -52.05 35.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.984 -0.746 . . . . 1.0 108.984 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' B' ' 63' ' ' MET . 14.6 mm -61.76 -25.7 37.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.17 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.26 -52.19 10.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.291 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 44.1 m -64.17 -59.62 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.963 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.49 -35.59 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' B' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.21 79.4 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.3 -37.84 84.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -37.1 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.801 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.513 ' O ' ' N ' ' B' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.96 39.88 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.274 -0.421 . . . . 1.0 112.035 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.72 -23.85 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 119.868 -0.733 . . . . 1.0 110.154 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 66' ' ' MET . 87.5 t -90.83 -33.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 1.0 110.38 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 66' ' ' MET . 28.1 tp10 -94.65 -51.81 4.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 112.17 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 8.9 tt -67.57 -53.29 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.432 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' B' ' 70' ' ' ILE . 2.2 tp -54.18 -35.63 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.142 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' A' ' 88' ' ' GLU . 55.2 t30 -72.73 -12.58 61.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.244 0.545 . . . . 1.0 109.752 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.469 ' O ' ' N ' ' B' ' 77' ' ' ALA . 0.3 OUTLIER -91.56 -52.2 4.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.362 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.66 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.324 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -52.77 -40.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 119.782 -0.767 . . . . 1.0 109.643 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 21.2 tt0 -82.41 -23.92 34.64 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.03 -51.49 69.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.449 -0.575 . . . . 1.0 109.449 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.95 -32.62 18.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.278 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 41.4 t -85.67 -24.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 62.6 m-20 -78.04 -102.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.139 0.422 . . . . 1.0 112.139 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 82' ' ' ILE . 60.4 ttt-85 -100.71 -10.04 21.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.933 0.346 . . . . 1.0 111.933 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.94 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 121.017 0.437 . . . . 1.0 111.3 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.412 ' O ' ' OG ' ' B' ' 84' ' ' SER . . . -128.68 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' B' ' 83' ' ' GLY . 21.2 p 58.11 38.5 26.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 1.0 110.506 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.21 -71.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' B' ' 89' ' ' LEU . 72.8 m-85 -51.4 -16.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -56.62 -10.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 72' ' ' ASN . 87.8 mt-10 -125.09 87.61 2.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 91' ' ' GLY . 19.1 mt -101.75 -23.13 14.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.364 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.19 36.94 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.97 167.74 0.08 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.681 -0.967 . . . . 1.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -22.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.41 71.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.74 -29.26 69.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.2 -40.16 2.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.886 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' B' ' 96' ' ' MET . 2.2 mpp? -70.59 -43.72 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.12 -36.53 93.58 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.1 8.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.615 0.245 . . . . 1.0 110.785 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.27 -50.29 4.85 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.37 -26.05 38.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.738 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.48 -59.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.45 -44.17 55.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.065 -0.654 . . . . 1.0 110.567 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 106' ' ' ILE . 9.8 pt -78.55 -26.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.253 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.69 -48.76 0.73 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.927 0.394 . . . . 1.0 110.859 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.41 -38.47 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.995 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.11 -61.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.446 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.671 ' CG1' ' H ' ' B' ' 108' ' ' ALA . 13.4 p -47.54 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 121.169 -0.212 . . . . 1.0 111.046 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.671 ' H ' ' CG1' ' B' ' 107' ' ' VAL . . . -39.48 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.815 0.279 . . . . 1.0 111.476 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 107' ' ' VAL . 99.4 t -92.89 -81.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.912 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.16 -37.26 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.235 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 14.4 m -59.09 -49.86 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.815 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.026 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 74.5 m -65.74 -58.71 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.2 mp -67.42 -39.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.766 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.61 -31.05 61.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . 0.525 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 0.9 OUTLIER -67.7 -30.95 70.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.857 179.398 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.96 -20.63 24.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.106 0.479 . . . . 1.0 110.296 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' SER . . . . . 0.469 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.2 t -59.81 -30.02 68.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.279 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 116' ' ' LEU . 0.4 OUTLIER -63.23 -0.63 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.81 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' B' ' 118' ' ' SER . 70.7 t80 -81.85 -93.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.584 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.404 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.071 -1.405 . . . . 1.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.68 -51.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 3' ' ' ASN . 2.3 m-20 -77.11 -167.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.52 65.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.537 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.9 t -77.99 -39.01 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.16 14.39 0.06 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -64.41 -33.19 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 1.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 50.3 p -58.8 -37.57 76.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.42 -39.14 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.351 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.3 -48.27 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.306 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.9 -49.0 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.174 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.83 -37.99 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.66 70.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.697 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.15 1.84 68.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.368 -0.693 . . . . 1.0 111.368 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -82.72 -22.25 34.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 28.2 t -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -51.99 -39.01 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -57.64 -41.92 82.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.04 -27.14 70.9 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -49.62 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 1.0 110.133 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.37 -37.27 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.2 -27.74 62.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.667 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.79 -30.7 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.847 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' OE1' ' C' ' 33' ' ' GLN . 0.0 OUTLIER -47.9 -45.82 31.06 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.893 0.378 . . . . 1.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.54 -16.62 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.66 43.35 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.347 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' C' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.55 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.478 ' H ' ' CG ' ' C' ' 28' ' ' GLU . . . -60.15 2.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.508 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -40.63 -28.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 1.0 111.179 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -89.25 -45.95 9.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.154 0.502 . . . . 1.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.88 -22.38 66.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.683 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' C' ' 25' ' ' TRP . 36.8 tp60 -60.03 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.949 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.03 -22.42 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.606 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.61 -55.29 1.56 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.961 -0.563 . . . . 1.0 112.303 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.6 -34.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 117.144 0.472 . . . . 1.0 110.576 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -59.55 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.258 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' C' ' 42' ' ' VAL . 0.3 OUTLIER -39.04 -18.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.277 -178.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.2 tt -87.86 -54.18 4.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' C' ' 37' ' ' ALA . 4.0 mm? -66.17 -36.7 83.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.486 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.17 -24.1 64.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.996 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' C' ' 38' ' ' VAL . 43.9 t -89.59 -37.54 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.765 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.84 -47.82 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.537 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -73.29 -47.16 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . 0.482 ' N ' ' CG2' ' C' ' 44' ' ' ILE . . . -60.43 -39.47 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.628 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.42 -51.41 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.83 -53.96 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' C' ' 48' ' ' LEU . 10.4 mp -82.98 -170.7 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.972 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.3 p-10 -71.5 -122.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.505 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' VAL . . . . . 0.461 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 11.3 p -158.27 149.13 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.366 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 177.17 7.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.61 -139.49 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.0 OUTLIER -97.82 -28.63 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.321 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 36.6 p -37.98 -40.38 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 1.0 111.1 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -78.98 -40.58 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.088 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' C' ' 53' ' ' ILE . 46.9 t -61.79 -37.08 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.61 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -53.02 17.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -49.92 -52.12 35.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' C' ' 63' ' ' MET . 14.5 mm -61.64 -25.66 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.301 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.3 -52.13 10.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 -59.62 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.956 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.58 -35.54 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.676 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' C' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.16 79.25 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.979 -0.378 . . . . 1.0 109.979 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.38 -37.88 83.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.03 -0.73 . . . . 1.0 109.03 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.45 -37.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.76 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' MET . . . . . 0.517 ' O ' ' N ' ' C' ' 69' ' ' GLU . 7.3 mmt -66.45 -53.08 39.52 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.069 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 pt -44.62 -23.93 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 119.96 -0.696 . . . . 1.0 110.16 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' C' ' 66' ' ' MET . 87.4 t -90.79 -33.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 1.0 110.392 178.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' C' ' 66' ' ' MET . 28.2 tp10 -94.72 -51.83 4.54 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.165 -0.471 . . . . 1.0 112.102 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' C' ' 71' ' ' LEU . 8.8 tt -67.54 -53.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.559 -0.456 . . . . 1.0 110.427 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' C' ' 70' ' ' ILE . 2.2 tp -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.048 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' ASN . . . . . 0.412 ' O ' ' OE1' ' B' ' 88' ' ' GLU . 55.1 t30 -72.72 -12.57 61.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.201 0.524 . . . . 1.0 109.752 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' SER . . . . . 0.466 ' O ' ' N ' ' C' ' 77' ' ' ALA . 0.3 OUTLIER -91.53 -52.13 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.37 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.01 -51.68 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.286 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.73 -40.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.738 -0.785 . . . . 1.0 109.658 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' C' ' 80' ' ' ASP . 21.2 tt0 -82.37 -23.95 34.72 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.333 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.02 -51.55 69.22 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -52.92 -32.6 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.82 -24.17 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.579 -0.737 . . . . 1.0 111.012 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.0 m-20 -78.16 -102.87 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' C' ' 82' ' ' ILE . 60.4 ttt-85 -100.74 -10.01 21.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.916 0.339 . . . . 1.0 111.916 -178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 35.01 97.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.95 0.405 . . . . 1.0 111.378 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' OG ' ' C' ' 84' ' ' SER . . . -128.71 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' C' ' 83' ' ' GLY . 21.0 p 58.22 38.47 26.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 1.0 110.49 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.3 -71.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' C' ' 89' ' ' LEU . 72.9 m-85 -51.37 -16.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.539 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.65 -10.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 72' ' ' ASN . 87.9 mt-10 -125.08 87.62 2.74 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.858 0.361 . . . . 1.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' C' ' 91' ' ' GLY . 19.1 mt -101.75 -23.1 14.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.37 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.32 36.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 57.04 167.68 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -22.51 26.77 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.43 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.399 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -66.81 -29.31 69.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -42.11 -40.22 2.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.854 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' C' ' 96' ' ' MET . 2.1 mpp? -70.59 -43.76 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.03 -36.6 93.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 43.7 t -48.44 -33.1 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.754 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.3 -50.19 4.89 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.43 -26.06 39.73 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.741 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 25.0 t -69.38 -59.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 32.3 mt -50.3 -44.26 53.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.569 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' C' ' 106' ' ' ILE . 9.8 pt -78.5 -26.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.301 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -36.75 -48.73 0.74 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.857 0.36 . . . . 1.0 110.873 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.28 -38.56 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.992 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' C' ' 103' ' ' ILE . 7.9 mt -75.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.497 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.674 ' CG1' ' H ' ' C' ' 108' ' ' ALA . 13.4 p -47.62 -71.92 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.72 -0.218 . . . . 1.0 111.036 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' ALA . . . . . 0.674 ' H ' ' CG1' ' C' ' 107' ' ' VAL . . . -39.56 -26.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.831 0.287 . . . . 1.0 111.492 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' C' ' 107' ' ' VAL . 99.5 t -92.92 -81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.94 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.09 -37.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.307 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 14.2 m -59.08 -49.85 76.31 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.892 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.71 -31.34 69.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.097 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.75 -58.76 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.248 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . 0.527 ' N ' ' CD1' ' C' ' 114' ' ' ILE . 1.2 mp -67.41 -39.98 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.741 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 36.2 tp -55.6 -31.12 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 0.9 OUTLIER -67.61 -31.01 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 1.0 109.921 179.386 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.85 -20.68 24.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.232 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.473 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.3 t -59.87 -29.95 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.279 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' C' ' 116' ' ' LEU . 0.4 OUTLIER -63.3 -0.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.8 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' C' ' 118' ' ' SER . 70.1 t80 -81.95 -93.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' GLY . . . . . 0.4 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.087 0.47 . . . . 1.0 110.201 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 27' ' ' ASN . 36.5 t-20 -107.79 43.31 1.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.915 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 18.2 tt0 164.59 -70.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.474 0.484 . . . . 1.0 110.229 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.0 2.51 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.426 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.64 -30.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.816 0.341 . . . . 1.0 111.44 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.49 -48.64 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 1.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.73 66.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.146 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -59.5 5.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.529 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 61.8 tt0 -47.72 -22.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.07 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.74 -53.49 1.53 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.68 -0.568 . . . . 1.0 111.68 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.3 -45.17 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.605 0.24 . . . . 1.0 110.601 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.62 -60.1 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 42' ' ' VAL . 96.5 t -38.44 -19.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.3 tp -87.24 -52.77 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.45 -0.945 . . . . 1.0 108.45 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ALA . 13.9 mt -66.98 -36.13 81.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.819 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.2 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.418 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 38' ' ' VAL . 22.8 t -83.11 -38.01 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.905 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.0 t -51.84 -48.08 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.468 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG21 HD21 ' C' ' 115' ' ' LEU . 61.7 mt -74.49 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.53 -43.59 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 1.0 110.373 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.84 -48.69 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.74 -45.93 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.043 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 tp -173.36 132.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -157.61 108.42 2.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -154.91 51.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 114' ' ' ILE . 6.2 m-20 -84.29 -172.2 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' C' ' 53' ' ' ILE . . . -82.98 2.92 32.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' B' ' 52' ' ' ALA . 3.8 mt 69.51 -2.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.164 0.507 . . . . 1.0 110.41 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 m -43.69 -37.94 2.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' ' OG1' ' C' ' 111' ' ' THR . 37.6 ttt180 -48.12 -39.28 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 1.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.44 -43.77 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.661 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.0 tt -49.55 -55.71 12.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.496 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.34 -43.07 64.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' MET . 96.6 mt -67.66 -54.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.749 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.7 -43.9 47.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.089 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.4 m -64.06 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 1.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.23 -28.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.457 ' O ' HG23 ' A' ' 67' ' ' ILE . 39.7 ttp -58.75 -30.19 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.02 -41.35 96.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.11 -39.06 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.264 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ILE . 34.7 mtt -54.32 -49.91 68.58 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.519 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -51.02 -22.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.11 -0.636 . . . . 1.0 109.678 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 5.7 t -91.32 -27.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.756 0.312 . . . . 1.0 110.601 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' O ' ' OG ' ' A' ' 73' ' ' SER . 56.7 mt-10 -97.28 -55.54 2.81 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.025 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' SER . 15.5 mt -63.97 -59.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.87 -36.81 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.903 -0.719 . . . . 1.0 109.608 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 9.8 m-20 -69.62 -10.92 60.18 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 m -90.56 -51.62 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.35 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.0 -51.43 68.08 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 76' ' ' GLU . 15.3 tt -49.74 -45.88 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.554 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 80' ' ' ASP . 65.8 tt0 -80.72 -22.86 39.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.973 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.14 -53.93 52.71 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.452 -0.499 . . . . 1.0 110.3 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.97 -32.63 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 1.0 109.433 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.82 -24.06 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.783 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 t0 -78.17 -103.55 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 85.1 mtt-85 -98.43 -10.51 23.55 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.6 tt 34.23 98.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.14 0.495 . . . . 1.0 111.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.09 56.83 0.5 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.731 -0.948 . . . . 1.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p -54.73 170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.0 110.674 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.5 161.44 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.17 -19.13 34.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.53 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.62 -26.06 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.062 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -44.6 121.99 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 1.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER 177.64 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.97 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.1 p -70.52 39.74 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.45 169.06 0.06 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.599 -1.0 . . . . 1.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.0 25.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.235 0.54 . . . . 1.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.34 63.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.6 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.62 -27.56 67.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.733 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -44.73 -37.8 3.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -71.89 -45.67 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.968 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.05 -36.7 93.33 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.64 -32.6 8.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.775 0.322 . . . . 1.0 111.047 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.08 -46.63 10.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.88 -20.68 24.43 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.884 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 97' ' ' GLY . 20.2 t -66.7 -58.28 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.32 -49.99 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.452 -0.499 . . . . 1.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.71 ' O ' HG22 ' A' ' 107' ' ' VAL . 35.1 pt -79.13 -25.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -40.85 -44.54 2.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.007 0.432 . . . . 1.0 109.918 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.6 mt -69.09 -38.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.536 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 17.7 mt -74.92 -63.76 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.945 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.951 -178.217 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.609 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.54 -32.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.952 0.406 . . . . 1.0 111.392 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.9 t -89.27 -75.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.6 mm -50.23 -33.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.525 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.468 ' OG1' ' NH2' ' B' ' 55' ' ' ARG . 3.5 t -58.95 -44.13 91.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.442 ' N ' ' CG2' ' A' ' 111' ' ' THR . 47.3 t90 -76.34 -29.11 57.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.31 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.32 -58.38 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.921 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 115' ' ' LEU . 2.3 pp -62.7 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.891 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 114' ' ' ILE . 14.6 tp -57.55 -37.29 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.56 -41.57 96.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.743 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.04 -20.4 16.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.154 0.502 . . . . 1.0 109.743 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 m -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.02 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -62.85 -37.62 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.53 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.059 0.456 . . . . 1.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.83 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 27' ' ' ASN . 36.4 t-20 -107.83 43.33 1.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.923 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 18.1 tt0 164.52 -70.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.526 0.516 . . . . 1.0 110.298 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.05 2.65 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.389 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.75 -30.33 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.777 0.323 . . . . 1.0 111.448 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.51 -48.62 7.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.199 0.524 . . . . 1.0 110.793 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.79 66.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -59.57 5.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.512 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 61.5 tt0 -47.72 -22.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.086 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.81 -53.44 1.53 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.671 -0.572 . . . . 1.0 111.671 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.33 -45.11 18.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.557 0.217 . . . . 1.0 110.634 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.62 -60.16 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 42' ' ' VAL . 95.8 t -38.35 -19.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.388 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.6 tp -87.28 -52.71 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 37' ' ' ALA . 13.9 mt -66.97 -36.15 81.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.17 62.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.397 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 38' ' ' VAL . 22.6 t -83.17 -37.98 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.81 -48.16 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.399 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.434 HG21 HD21 ' A' ' 115' ' ' LEU . 61.8 mt -74.53 -46.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.765 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.73 55.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.336 . . . . 1.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 69.0 m -57.83 -48.68 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.63 -46.12 39.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.976 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 53.1 tp -173.25 132.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.258 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -157.39 108.4 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -154.96 51.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 114' ' ' ILE . 6.1 m-20 -84.41 -172.29 4.09 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' ILE . . . -82.86 2.9 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' C' ' 52' ' ' ALA . 3.8 mt 69.46 -2.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.203 0.525 . . . . 1.0 110.417 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.2 m -43.83 -37.87 3.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.468 ' NH2' ' OG1' ' A' ' 111' ' ' THR . 37.3 ttt180 -48.17 -39.18 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 1.0 110.608 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.47 -43.84 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.692 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.512 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.1 tt -49.56 -55.68 12.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.214 -0.594 . . . . 1.0 110.452 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.36 -43.05 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.934 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 63' ' ' MET . 96.6 mt -67.7 -54.9 19.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.735 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.9 p -49.8 -43.82 48.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.123 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 74.6 m -64.05 -63.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 1.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.26 -28.25 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.476 ' N ' ' O ' ' B' ' 59' ' ' ILE . 39.8 ttp -58.63 -30.25 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.11 -41.32 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.704 -0.851 . . . . 1.0 108.704 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.17 -38.97 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.261 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.7 mtt -54.33 -49.89 68.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.571 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.454 HG23 ' O ' ' B' ' 63' ' ' MET . 0.1 OUTLIER -51.06 -22.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.657 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 5.6 t -91.27 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.592 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.427 ' O ' ' OG ' ' B' ' 73' ' ' SER . 56.6 mt-10 -97.16 -55.7 2.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.53 -0.304 . . . . 1.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 15.3 mt -63.88 -59.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.076 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.85 -36.78 49.56 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.633 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 9.9 m-20 -69.56 -10.97 60.37 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.4 m -90.57 -51.64 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.242 -0.89 . . . . 1.0 109.36 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -51.57 67.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.821 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 15.2 tt -49.6 -45.99 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.512 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 80' ' ' ASP . 65.4 tt0 -80.64 -22.9 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.977 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.14 -53.99 51.98 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.189 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.92 -32.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.473 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -85.73 -24.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.834 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.9 t0 -78.21 -103.58 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.16 0.429 . . . . 1.0 112.16 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 82' ' ' ILE . 85.0 mtt-85 -98.4 -10.54 23.58 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.819 0.303 . . . . 1.0 111.819 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.6 tt 34.31 98.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 121.061 0.458 . . . . 1.0 111.601 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.11 56.82 0.5 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.58 170.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.321 . . . . 1.0 110.74 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.42 161.42 14.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.23 -19.0 34.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.507 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.75 -26.01 56.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.035 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.45 121.96 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.682 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER 177.6 -44.02 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.992 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.9 p -70.53 39.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 55.39 169.1 0.06 OUTLIER Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.588 -1.005 . . . . 1.0 110.588 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -87.33 -21.99 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.096 0.474 . . . . 1.0 109.773 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -51.46 63.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.647 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.52 -27.54 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.79 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.81 -37.76 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.885 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' B' ' 96' ' ' MET . 0.1 OUTLIER -71.98 -45.56 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.581 -0.448 . . . . 1.0 109.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.13 -36.73 93.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -48.56 -32.63 8.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.729 0.3 . . . . 1.0 111.031 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.17 -46.61 10.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.746 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.84 -20.68 24.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.934 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 97' ' ' GLY . 20.4 t -66.69 -58.32 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.31 -50.01 65.84 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.45 -0.5 . . . . 1.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.729 ' O ' HG22 ' B' ' 107' ' ' VAL . 35.2 pt -79.07 -25.92 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -40.89 -44.56 2.33 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.467 ' O ' HG23 ' B' ' 109' ' ' VAL . 67.9 mt -69.07 -38.46 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.504 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' B' ' 103' ' ' ILE . 17.6 mt -74.92 -63.9 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.729 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.2 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.911 -178.095 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.618 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.44 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.946 0.403 . . . . 1.0 111.363 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.4 t -89.24 -75.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.771 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 mm -50.18 -33.82 10.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.574 -0.285 . . . . 1.0 111.56 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.468 ' OG1' ' CZ ' ' C' ' 55' ' ' ARG . 3.5 t -59.11 -44.0 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.475 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' TRP . . . . . 0.441 ' N ' ' CG2' ' B' ' 111' ' ' THR . 47.1 t90 -76.3 -29.14 57.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.312 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.31 -58.28 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.024 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.481 HD12 ' N ' ' B' ' 115' ' ' LEU . 2.3 pp -62.82 -42.58 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.933 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.481 ' N ' HD12 ' B' ' 114' ' ' ILE . 14.5 tp -57.67 -37.06 72.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.79 -41.45 95.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.78 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -56.13 -20.4 17.39 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 8.8 m -57.61 -29.32 64.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.027 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.84 -37.7 87.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.552 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.056 0.455 . . . . 1.0 110.152 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.66 -13.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' C' ' 27' ' ' ASN . 36.4 t-20 -107.75 43.27 1.22 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.847 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' C' ' 27' ' ' ASN . 18.4 tt0 164.56 -70.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.443 0.465 . . . . 1.0 110.248 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 2.6 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.458 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.79 -30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.811 0.338 . . . . 1.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.62 -48.62 7.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.471 . . . . 1.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.74 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 1.0 110.12 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -59.5 5.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.454 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 62.3 tt0 -47.76 -22.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.042 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.8 -53.43 1.53 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.719 -0.552 . . . . 1.0 111.719 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.4 -45.08 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.491 0.186 . . . . 1.0 110.588 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.6 -60.09 4.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.543 ' O ' HG23 ' C' ' 42' ' ' VAL . 95.2 t -38.51 -19.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.426 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.2 tp -87.23 -52.68 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.498 -0.927 . . . . 1.0 108.498 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' C' ' 37' ' ' ALA . 13.9 mt -67.06 -36.15 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.175 -0.92 . . . . 1.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.55 -24.11 62.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.421 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 38' ' ' VAL . 22.8 t -83.19 -38.05 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.903 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.68 -48.18 37.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.428 HG21 HD21 ' B' ' 115' ' ' LEU . 62.3 mt -74.52 -46.06 43.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.728 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.61 55.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.411 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -48.8 -45.94 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.039 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 52.8 tp -173.3 132.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.335 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -157.54 108.47 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.425 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.94 51.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.788 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 114' ' ' ILE . 6.1 m-20 -84.29 -172.27 4.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' B' ' 53' ' ' ILE . . . -82.88 2.87 32.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.58 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.8 mt 69.49 -2.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.501 . . . . 1.0 110.374 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 8.9 m -43.66 -37.99 2.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.468 ' CZ ' ' OG1' ' B' ' 111' ' ' THR . 37.2 ttt180 -48.12 -39.32 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.01 0.433 . . . . 1.0 110.583 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.29 -43.91 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 1.0 111.655 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.516 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.1 tt -49.62 -55.66 12.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.466 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.33 -43.04 64.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' C' ' 63' ' ' MET . 96.6 mt -67.76 -54.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.79 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.69 -43.91 47.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.156 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 74.3 m -64.05 -63.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.344 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.11 -28.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.627 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.444 ' N ' ' O ' ' C' ' 59' ' ' ILE . 39.8 ttp -58.68 -30.24 67.22 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.11 -41.34 96.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -67.11 -38.98 82.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.249 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.471 ' O ' ' N ' ' C' ' 70' ' ' ILE . 34.7 mtt -54.47 -49.83 69.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.511 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 67' ' ' ILE . . . . . 0.439 HG23 ' O ' ' C' ' 63' ' ' MET . 0.1 OUTLIER -51.09 -22.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.073 -0.651 . . . . 1.0 109.689 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 5.6 t -91.3 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.736 0.303 . . . . 1.0 110.639 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' C' ' 73' ' ' SER . 56.6 mt-10 -97.17 -55.63 2.79 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.029 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' C' ' 66' ' ' MET . 15.5 mt -63.96 -59.3 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.04 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.82 -36.76 49.14 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.645 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 9.8 m-20 -69.68 -10.88 60.02 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.471 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 m -90.49 -51.71 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.415 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.56 67.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.834 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.483 HG23 ' N ' ' C' ' 76' ' ' GLU . 15.2 tt -49.63 -46.0 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.512 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 80' ' ' ASP . 65.9 tt0 -80.61 -22.89 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.17 -53.95 52.47 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.259 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.96 -32.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.71 -24.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.711 . . . . 1.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 t0 -78.1 -103.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 82' ' ' ILE . 85.2 mtt-85 -98.47 -10.57 23.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.6 tt 34.43 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.086 0.47 . . . . 1.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.0 56.85 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.72 170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 1.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.41 161.4 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.672 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.21 -19.12 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.484 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.7 -26.05 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.56 122.04 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 1.0 110.645 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.8 OUTLIER 177.58 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.033 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 22.2 p -70.49 39.64 0.05 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.46 169.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.01 25.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 1.0 109.792 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.43 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.688 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -66.49 -27.67 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.675 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.73 -37.83 4.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' C' ' 96' ' ' MET . 0.1 OUTLIER -71.9 -45.53 60.93 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.028 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.78 93.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.49 -32.69 8.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 111.108 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.12 -46.59 10.3 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.144 -0.688 . . . . 1.0 109.144 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.95 -20.66 24.82 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.859 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.76 -58.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.46 -49.85 66.55 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.149 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.713 ' O ' HG22 ' C' ' 107' ' ' VAL . 35.4 pt -79.02 -25.93 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -40.96 -44.53 2.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.461 ' O ' HG23 ' C' ' 109' ' ' VAL . 67.9 mt -68.98 -38.56 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.893 -0.594 . . . . 1.0 109.521 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' C' ' 103' ' ' ILE . 17.8 mt -74.92 -63.81 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.864 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.713 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.8 OUTLIER -48.9 -70.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.944 -178.048 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.604 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.42 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.927 0.394 . . . . 1.0 111.326 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 44.0 t -89.26 -75.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.811 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 20.8 mm -50.34 -33.74 10.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.595 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.47 ' OG1' ' NH2' ' A' ' 55' ' ' ARG . 3.5 t -58.99 -44.13 91.58 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.464 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 112' ' ' TRP . . . . . 0.451 ' N ' ' CG2' ' C' ' 111' ' ' THR . 46.8 t90 -76.33 -29.12 57.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.29 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 13.2 t -65.34 -58.33 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.484 HD12 ' N ' ' C' ' 115' ' ' LEU . 2.3 pp -62.73 -42.68 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.86 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.484 ' N ' HD12 ' C' ' 114' ' ' ILE . 14.6 tp -57.68 -37.03 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.88 -41.39 95.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.738 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.19 -20.39 17.79 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 8.4 m -57.57 -29.36 64.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.012 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.71 -37.86 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.671 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.26 141.63 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.497 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 118.019 -1.434 . . . . 1.0 110.932 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 120.849 0.357 . . . . 1.0 110.506 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.652 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.2 -61.99 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.456 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.4 mm-40 -126.83 -48.38 1.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.657 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -57.79 -2.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -39.15 -22.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.259 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 29.6 p90 -84.73 -42.75 14.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 1.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 68.1 ttt180 -62.42 -33.07 74.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.65 -64.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 1.0 109.234 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -44.54 -35.18 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.518 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.55 -58.44 8.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.4 t -49.13 -35.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.502 -0.349 . . . . 1.0 110.108 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -7.26 15.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.749 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.3 t -96.59 -24.09 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.331 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.95 -62.56 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.752 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -49.62 -42.37 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.51 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HE ' ' A' ' 55' ' ' ARG . . . -61.88 -34.91 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.0 t -81.94 -41.56 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.31 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 72.3 t -50.18 -44.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 1.0 110.278 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 pt -74.04 -43.13 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.341 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.35 -46.48 72.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.666 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.86 -48.6 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 10.8 m0 -54.06 -35.22 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.14 103.15 0.37 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.18 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.28 102.0 11.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.944 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 m -150.87 23.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.4 102.08 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.4 -23.3 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.042 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.9 -40.07 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HE ' ' HB1' ' A' ' 41' ' ' ALA . 62.2 ttt-85 -78.87 -47.9 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.408 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -52.93 -47.54 52.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.378 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -48.62 44.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 4.6 tp -49.73 -52.14 33.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.22 -34.59 67.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.0 110.434 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -57.2 -56.26 24.09 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.139 -0.689 . . . . 1.0 109.139 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.42 -52.48 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' LEU . 79.0 t -56.43 -48.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.046 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.11 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.564 -0.454 . . . . 1.0 109.969 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.78 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.298 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.08 -33.25 62.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.39 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -49.64 -27.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.045 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -82.73 -43.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.339 . . . . 1.0 111.224 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ASN . 11.7 mm-40 -91.15 -74.69 0.49 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.4 mp -36.73 -55.89 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.507 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -49.15 -41.75 37.34 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.688 -0.805 . . . . 1.0 110.057 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' GLU . 12.4 m-20 -76.08 -10.89 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 1.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 6.5 p -89.8 -55.97 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.292 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.16 -52.66 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.573 -0.74 . . . . 1.0 109.758 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.657 HG23 HG22 ' C' ' 78' ' ' VAL . 1.2 mp -51.06 -49.09 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.77 -27.2 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.849 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.37 -51.17 70.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.667 -0.413 . . . . 1.0 109.973 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG22 HG23 ' B' ' 75' ' ' ILE . 2.1 t -53.33 -31.25 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.696 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.56 -24.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.062 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -82.6 -111.3 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.741 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 82' ' ' ILE . 93.7 mtt-85 -105.95 -36.71 6.89 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.882 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.3 tt 36.42 97.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.343 0.592 . . . . 1.0 111.298 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.36 -144.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 1.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.85 178.99 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 49.2 t80 -83.86 -16.04 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.763 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 1.3 m80 -79.51 -10.79 59.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 89' ' ' LEU . 19.3 tt0 -76.17 27.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 mp -106.99 -22.63 12.6 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.442 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 10.3 m -69.4 35.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.115 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.23 170.46 0.03 OUTLIER Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.619 -0.992 . . . . 1.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -88.77 -20.43 24.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 1.0 109.846 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -51.14 63.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.667 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.12 -29.8 69.64 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.148 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.9 mtt -74.13 -45.15 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.464 -0.494 . . . . 1.0 109.837 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -61.43 -39.07 96.78 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.1 t -49.25 -27.61 3.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.0 110.571 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.16 -45.63 10.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.89 41.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLY . 63.5 t -70.76 -62.45 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.721 0.296 . . . . 1.0 111.714 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 102' ' ' LEU . 9.4 mp -51.85 -47.69 64.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.2 0.524 . . . . 1.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 106' ' ' ILE . 13.4 pt -73.09 -21.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.145 -0.622 . . . . 1.0 110.903 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -37.1 -49.6 0.88 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.91 0.386 . . . . 1.0 110.646 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 109' ' ' VAL . 16.2 tt -70.12 -38.87 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.086 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 103' ' ' ILE . 28.6 mt -68.52 -35.33 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.741 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 109' ' ' VAL . 61.3 t -65.24 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.49 -28.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.539 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 107' ' ' VAL . 48.5 t -92.63 -83.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.716 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.8 mm -45.18 -34.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.041 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -62.46 -41.17 98.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.45 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -68.81 -26.33 65.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.458 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.8 -58.85 5.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.421 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -67.21 -40.3 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.624 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.38 -42.6 78.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.543 -0.539 . . . . 1.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.67 -42.25 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.28 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -49.26 -24.91 2.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -26.71 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.09 -12.68 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.549 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.73 0.3 . . . . 1.0 110.523 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.15 -62.04 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.438 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 14.3 mm-40 -126.82 -48.28 1.51 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -57.84 -2.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -39.18 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.319 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 29.8 p90 -84.65 -42.88 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.182 0.515 . . . . 1.0 110.061 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 69.0 ttt180 -62.4 -33.03 73.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.427 -0.806 . . . . 1.0 109.825 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.63 -64.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.202 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -44.57 -35.1 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.528 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.67 -58.34 8.59 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.8 t -49.14 -35.21 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.364 . . . . 1.0 110.124 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -7.23 15.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.47 ' O ' HG23 ' B' ' 42' ' ' VAL . 40.5 t -96.64 -24.06 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.412 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.88 -62.58 1.44 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.546 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -49.48 -42.49 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.512 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.446 ' HB1' ' HE ' ' B' ' 55' ' ' ARG . . . -61.89 -34.87 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 38' ' ' VAL . 88.9 t -81.99 -41.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.268 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' B' ' 47' ' ' TRP . 72.1 t -50.08 -44.45 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.389 . . . . 1.0 110.349 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.9 pt -74.14 -43.07 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.356 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.53 72.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.87 -48.6 78.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.438 ' CD1' ' O ' ' B' ' 43' ' ' VAL . 10.7 m0 -54.14 -35.16 61.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.362 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.18 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.127 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.24 102.0 11.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.002 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.85 23.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.117 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.23 102.07 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.68 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.56 -87.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 1.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 pt -135.51 -23.17 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.055 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -40.0 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.446 ' HE ' ' HB1' ' B' ' 41' ' ' ALA . 62.1 ttt-85 -78.92 -47.87 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.397 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 t -52.86 -47.59 51.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.354 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.22 -48.59 45.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.42 ' O ' HG23 ' B' ' 62' ' ' VAL . 4.6 tp -49.75 -52.07 34.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.22 -34.63 67.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.975 0.417 . . . . 1.0 110.388 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -57.33 -56.06 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.33 -52.58 57.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.973 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 58' ' ' LEU . 79.2 t -56.45 -48.57 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.998 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.03 -47.88 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.555 -0.458 . . . . 1.0 109.977 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.79 -48.81 77.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.06 -33.31 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.685 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.17 -50.53 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.5 mt -49.61 -27.62 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.068 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.85 -43.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 72' ' ' ASN . 11.8 mm-40 -91.06 -74.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' B' ' 73' ' ' SER . 1.4 mp -36.68 -55.93 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.517 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.93 -42.06 35.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.738 -0.785 . . . . 1.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 69' ' ' GLU . 12.1 m-20 -75.9 -10.95 59.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 1.0 110.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' B' ' 74' ' ' ALA . 6.6 p -89.71 -56.02 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.3 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.495 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.2 -52.62 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.762 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.655 HG23 HG22 ' A' ' 78' ' ' VAL . 1.2 mp -51.06 -48.98 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.726 -0.842 . . . . 1.0 108.726 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -69.91 -27.23 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.24 -51.23 70.65 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.057 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.652 HG22 HG23 ' C' ' 75' ' ' ILE . 2.1 t -53.36 -31.28 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.653 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.49 -24.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.143 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.51 -111.42 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' B' ' 82' ' ' ILE . 93.4 mtt-85 -105.9 -36.6 6.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.908 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.3 tt 36.47 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.307 0.575 . . . . 1.0 111.304 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.35 -144.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.764 0.316 . . . . 1.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.85 178.97 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.66 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 49.1 t80 -83.88 -15.99 46.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 1.4 m80 -79.49 -10.88 59.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.88 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.471 ' C ' HD12 ' B' ' 89' ' ' LEU . 19.2 tt0 -76.11 27.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 mp -106.99 -22.74 12.57 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.452 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 9.6 m -69.31 35.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 1.0 111.216 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.27 170.47 0.03 OUTLIER Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.61 -20.59 24.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.084 0.469 . . . . 1.0 109.957 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.17 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.635 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -67.29 -29.72 69.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.99 -38.64 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.143 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.21 -45.03 50.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.882 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -61.5 -39.09 96.85 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 30.8 t -49.3 -27.56 3.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.322 . . . . 1.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.04 -45.63 10.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -21.77 42.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.666 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 97' ' ' GLY . 62.4 t -70.74 -62.42 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.74 0.305 . . . . 1.0 111.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 102' ' ' LEU . 9.4 mp -51.88 -47.65 64.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.211 0.529 . . . . 1.0 111.066 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 106' ' ' ILE . 13.3 pt -73.16 -21.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.919 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.93 -49.71 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.025 0.441 . . . . 1.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 109' ' ' VAL . 16.1 tt -70.08 -38.88 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.106 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 103' ' ' ILE . 28.7 mt -68.47 -35.45 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.728 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 109' ' ' VAL . 61.3 t -65.08 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.929 0.395 . . . . 1.0 110.018 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.52 -28.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.501 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' B' ' 107' ' ' VAL . 48.6 t -92.74 -83.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.656 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.13 -34.92 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.043 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 19.4 m -62.41 -41.2 98.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.461 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -68.8 -26.34 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 60.2 m -64.72 -58.94 4.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.461 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.62 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.39 -42.54 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.73 -42.28 67.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.29 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -49.11 -25.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.635 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.04 -12.65 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.658 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.507 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.827 0.346 . . . . 1.0 110.506 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.21 -13.37 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.621 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.16 -61.93 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.442 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' C' ' 30' ' ' ALA . 14.4 mm-40 -126.92 -48.27 1.49 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -57.81 -2.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.769 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -39.08 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.316 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 29.5 p90 -84.73 -42.83 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.18 0.514 . . . . 1.0 109.994 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 68.9 ttt180 -62.48 -33.02 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.7 -64.26 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.2 OUTLIER -44.58 -35.11 2.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.564 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.59 -58.42 8.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.1 -35.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.458 -0.371 . . . . 1.0 110.17 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -7.35 15.92 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.463 ' O ' HG23 ' C' ' 42' ' ' VAL . 40.5 t -96.57 -24.13 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.34 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.87 -62.66 1.42 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.705 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.539 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.9 OUTLIER -49.53 -42.41 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.524 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . 0.45 ' HB1' ' HE ' ' C' ' 55' ' ' ARG . . . -61.93 -34.84 76.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 38' ' ' VAL . 89.9 t -82.01 -41.58 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.272 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' C' ' 47' ' ' TRP . 71.4 t -50.06 -44.52 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 1.0 110.366 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 pt -73.98 -43.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.383 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.49 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.8 -48.68 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.494 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' C' ' 43' ' ' VAL . 10.8 m0 -53.98 -35.33 61.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.339 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.17 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.119 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.33 102.04 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.949 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.92 23.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.059 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.34 102.09 3.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.48 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 pt -135.47 -23.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.89 -40.14 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' HB1' ' C' ' 41' ' ' ALA . 61.9 ttt-85 -78.89 -47.82 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.416 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 t -52.87 -47.68 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.09 -48.68 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 62' ' ' VAL . 4.6 tp -49.72 -52.01 34.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.28 -34.66 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 120.906 0.384 . . . . 1.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.1 m -57.12 -56.24 24.31 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.203 -0.665 . . . . 1.0 109.203 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 36.2 t -64.52 -52.42 57.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 58' ' ' LEU . 78.9 t -56.55 -48.59 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.003 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -57.99 -47.82 81.85 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.011 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.77 -48.77 77.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.17 -33.17 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -49.59 -27.58 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.056 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.85 -43.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 1.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 72' ' ' ASN . 11.8 mm-40 -90.99 -74.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.035 -0.357 . . . . 1.0 110.035 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' C' ' 73' ' ' SER . 1.4 mp -36.69 -55.94 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.692 -0.686 . . . . 1.0 110.469 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -49.12 -41.83 37.25 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.664 -0.814 . . . . 1.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 69' ' ' GLU . 12.4 m-20 -75.91 -10.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' C' ' 74' ' ' ALA . 7.0 p -89.77 -55.96 3.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.356 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.17 -52.68 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.722 . . . . 1.0 109.718 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.652 HG23 HG22 ' B' ' 78' ' ' VAL . 1.2 mp -50.97 -49.19 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.81 -27.14 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.805 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.4 -51.24 70.64 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 75' ' ' ILE . 2.1 t -53.33 -31.23 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-N 115.526 -0.761 . . . . 1.0 109.678 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.57 -24.22 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.111 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.49 -111.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.708 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 82' ' ' ILE . 93.3 mtt-85 -105.84 -36.76 6.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.936 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.3 tt 36.48 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.304 0.573 . . . . 1.0 111.354 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.3 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.11 100.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 1.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.86 179.0 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 49.3 t80 -83.83 -16.03 46.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 1.3 m80 -79.56 -10.8 59.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.466 ' C ' HD12 ' C' ' 89' ' ' LEU . 19.2 tt0 -76.18 27.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.945 0.402 . . . . 1.0 110.446 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 mp -107.02 -22.63 12.59 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.48 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 91' ' ' GLY . 10.4 m -69.34 35.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.28 170.44 0.03 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.75 -20.46 24.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.025 0.441 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.07 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.641 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.26 -29.73 69.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.794 -0.362 . . . . 1.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.03 -38.64 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.164 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 30.2 mtt -74.13 -45.08 51.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.446 -0.502 . . . . 1.0 109.882 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -61.57 -38.98 96.72 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.211 -1.156 . . . . 1.0 110.211 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -27.63 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 1.0 110.625 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.0 -45.69 10.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.67 -21.76 42.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.608 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 97' ' ' GLY . 62.8 t -70.76 -62.48 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.698 0.285 . . . . 1.0 111.685 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 102' ' ' LEU . 9.4 mp -51.84 -47.72 64.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.208 0.528 . . . . 1.0 111.036 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 106' ' ' ILE . 13.3 pt -73.07 -21.35 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.861 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -37.04 -49.58 0.85 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.022 0.439 . . . . 1.0 110.672 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' C' ' 109' ' ' VAL . 16.1 tt -70.17 -38.93 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.004 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' C' ' 103' ' ' ILE . 28.3 mt -68.4 -35.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.769 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' C' ' 109' ' ' VAL . 60.5 t -65.12 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.56 -28.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.54 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' C' ' 107' ' ' VAL . 48.7 t -92.67 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.7 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.19 -34.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.006 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 19.3 m -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -68.91 -26.29 65.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.423 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.73 -58.93 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.45 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.411 ' H ' HG22 ' C' ' 114' ' ' ILE . 0.0 OUTLIER -67.2 -40.27 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.635 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.38 -42.64 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.72 -42.26 67.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.245 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -49.07 -24.93 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.629 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -68.1 -12.72 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.568 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 75.8 t80 -55.83 170.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.01 -1.439 . . . . 1.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 111.804 0.298 . . . . 1.0 111.804 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.89 -30.26 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.86 0.362 . . . . 1.0 110.177 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.19 44.13 1.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.811 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -179.9 -86.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.043 0.449 . . . . 1.0 110.669 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -70.35 4.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ALA . . . -36.13 -32.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.707 0.289 . . . . 1.0 111.709 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ALA . 37.6 t80 -95.72 -43.18 8.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.882 0.372 . . . . 1.0 111.089 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.9 -27.51 67.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 1.0 109.531 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.0 tp60 -59.97 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.049 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -41.98 -22.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.551 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.62 -48.32 3.0 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.248 -0.741 . . . . 1.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.95 -41.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.315 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -57.01 -62.92 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.9 t -35.22 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.528 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -89.91 -49.76 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 70.6 mt -65.04 -35.49 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.749 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB1' ' NH2' ' A' ' 55' ' ' ARG . . . -69.78 -25.2 63.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.113 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.4 t -78.72 -38.6 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -49.49 -47.91 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.193 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -74.25 -44.18 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.31 -48.77 46.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.675 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.36 -46.18 89.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.54 -49.07 79.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.432 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.26 101.77 4.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.295 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.64 96.58 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.663 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 51' ' ' ASP . 47.6 t -147.53 -98.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.397 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' VAL . 4.6 p-10 40.24 95.27 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.762 0.315 . . . . 1.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.71 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.769 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -49.1 -28.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.205 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.12 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.101 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' NH2' ' HB1' ' A' ' 41' ' ' ALA . 69.6 ttt180 -79.91 -48.08 14.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.77 -37.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.041 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.02 -46.07 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.22 -51.11 56.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.438 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 77.2 mt -66.02 -53.56 36.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.058 0.456 . . . . 1.0 110.148 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 m -46.42 -50.54 16.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.069 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.5 t -64.18 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.689 0.281 . . . . 1.0 111.688 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.8 -32.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.156 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 10.9 tmm? -62.03 -42.07 98.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.593 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.72 -50.71 63.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.952 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 93.7 t -60.86 -36.63 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.869 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLU . 19.8 mtt -57.32 -49.99 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.045 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.7 mt -44.34 -24.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 1.0 110.154 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.68 -31.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 1.0 111.254 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -95.22 -47.92 6.14 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.095 0.405 . . . . 1.0 112.095 -178.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.0 pt -69.86 -50.83 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 70' ' ' ILE . 5.8 tp -49.91 -40.76 44.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.358 -0.537 . . . . 1.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.515 HD22 ' H ' ' C' ' 85' ' ' GLU . 4.5 m120 -75.36 -12.48 60.27 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.8 t -89.92 -56.33 3.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.064 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.87 65.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.117 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 71' ' ' LEU . 11.3 tt -51.16 -43.41 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.625 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 84.1 mt-10 -80.95 -23.66 38.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.583 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.85 -52.88 63.64 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.983 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 75' ' ' ILE . 3.5 p -53.37 -31.67 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.8 t -85.27 -24.01 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.677 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.5 m-20 -77.36 -103.82 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.024 0.379 . . . . 1.0 112.024 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 82' ' ' ILE . 63.1 mtp180 -100.37 -8.84 22.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.669 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.0 tt 34.4 99.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 1.0 111.846 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -133.67 -69.22 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.45 -1.06 . . . . 1.0 110.45 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.5 m 42.07 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.97 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' H ' HD22 ' B' ' 72' ' ' ASN . 87.4 mt-10 -51.15 127.44 19.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.51 -16.11 46.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.727 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.4 m-70 -76.09 -63.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.536 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' HIS . 8.8 pt-20 26.54 47.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.636 0.585 . . . . 1.0 112.339 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.867 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.5 pt? -103.72 -22.09 13.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.625 0.25 . . . . 1.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 38.7 t -73.3 32.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.766 0.317 . . . . 1.0 110.898 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.99 168.66 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.574 -1.01 . . . . 1.0 110.574 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.419 ' O ' ' SD ' ' A' ' 96' ' ' MET . 22.5 ptt180 -85.85 -24.97 26.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 1.0 109.734 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -52.1 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLY . 66.8 tttt -67.47 -29.57 69.06 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.1 -38.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.643 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.72 -43.88 71.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.221 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.56 -36.73 92.84 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -33.95 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.711 -0.288 . . . . 1.0 111.348 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.54 5.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.45 59.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.0 t -69.91 -65.45 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.395 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.15 -47.45 68.75 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.551 0.691 . . . . 1.0 110.262 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' VAL . 1.4 tp -68.25 -18.3 23.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.409 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -47.87 -49.58 29.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.777 0.322 . . . . 1.0 110.924 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.13 -41.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.228 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.78 -30.45 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.717 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 108' ' ' ALA . 2.7 t -80.91 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 121.159 -0.217 . . . . 1.0 110.544 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -36.84 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 1.0 111.458 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' VAL . 26.1 t -92.44 -81.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.386 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.52 -34.72 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 115' ' ' LEU . 31.0 m -61.53 -54.13 47.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.684 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.81 -27.57 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 1.0 110.431 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 52.8 m -65.67 -57.98 6.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.029 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.412 HD13 ' N ' ' B' ' 55' ' ' ARG . 29.0 mt -65.71 -38.08 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.662 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 111' ' ' THR . 3.8 mp -53.71 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.54 -36.11 73.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.778 -0.452 . . . . 1.0 109.778 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.01 -22.67 16.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.046 0.45 . . . . 1.0 110.26 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.97 -30.93 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.187 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.52 -32.86 73.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.9 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.59 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.862 0.319 . . . . 1.0 111.862 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.93 -30.26 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-O 120.85 0.357 . . . . 1.0 110.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.16 44.16 1.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.853 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -179.87 -86.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 1.0 110.652 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -70.4 4.93 1.99 Allowed 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.315 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 29' ' ' ALA . . . -36.11 -32.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.66 0.267 . . . . 1.0 111.687 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 29' ' ' ALA . 37.5 t80 -95.77 -43.17 8.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.023 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -66.84 -27.53 67.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.26 0.552 . . . . 1.0 109.63 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' B' ' 35' ' ' GLY . 53.8 tp60 -59.92 -63.54 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.185 -0.916 . . . . 1.0 109.099 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -42.06 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.598 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.59 -48.42 2.98 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -48.0 -41.37 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 121.0 -0.28 . . . . 1.0 110.289 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.94 -62.99 1.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.579 ' O ' HG23 ' B' ' 42' ' ' VAL . 2.9 t -35.33 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.52 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 37' ' ' ALA . 12.7 mt -89.85 -49.61 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' B' ' 37' ' ' ALA . 71.6 mt -65.14 -35.55 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.763 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' NH2' ' B' ' 55' ' ' ARG . . . -69.7 -25.19 63.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.7 t -78.73 -38.6 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.771 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -49.41 -48.01 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.704 -0.398 . . . . 1.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -74.23 -44.13 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.705 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.79 46.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.633 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.19 -46.36 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.296 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -60.44 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.439 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.25 101.73 4.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.319 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.71 96.79 10.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' ASP . 47.9 t -147.7 -98.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' B' ' 50' ' ' VAL . 4.6 p-10 40.15 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 179.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.749 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.692 ' N ' HD13 ' B' ' 53' ' ' ILE . 0.1 OUTLIER -49.24 -27.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.225 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.1 3.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 1.0 110.141 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' HB1' ' B' ' 41' ' ' ALA . 69.7 ttt180 -79.89 -48.06 14.07 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.385 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.83 -37.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -49.92 -46.0 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 58' ' ' LEU . 16.8 mt -51.34 -51.02 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.456 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' B' ' 63' ' ' MET . 76.3 mt -65.94 -53.59 36.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-O 121.185 0.516 . . . . 1.0 110.234 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.7 m -46.41 -50.54 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t -64.17 -63.99 1.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 1.0 111.605 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.69 -32.53 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.116 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' B' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.09 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.634 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -65.61 -50.77 63.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.052 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.424 ' O ' ' OE2' ' B' ' 69' ' ' GLU . 93.6 t -60.87 -36.56 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.874 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' GLU . 19.6 mtt -57.45 -49.89 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.769 -0.651 . . . . 1.0 109.975 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -44.44 -24.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 1.0 110.147 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' B' ' 66' ' ' MET . 11.1 t -91.73 -31.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -48.02 6.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -178.734 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 4.1 pt -69.95 -50.65 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.073 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 70' ' ' ILE . 5.9 tp -50.1 -40.64 46.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.337 -0.545 . . . . 1.0 109.769 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' GLU . 4.4 m120 -75.38 -12.48 60.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.9 t -89.99 -56.28 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.051 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.59 -51.87 65.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.438 HG22 ' O ' ' B' ' 71' ' ' LEU . 11.3 tt -51.06 -43.5 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.783 -0.644 . . . . 1.0 109.584 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 83.9 mt-10 -80.9 -23.69 38.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.616 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.99 63.19 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.457 -0.497 . . . . 1.0 110.0 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 75' ' ' ILE . 3.5 p -53.31 -31.65 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.182 -0.674 . . . . 1.0 109.182 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.29 -24.03 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.662 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 63.6 m-20 -77.27 -103.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.075 0.398 . . . . 1.0 112.075 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 82' ' ' ILE . 63.4 mtp180 -100.29 -8.85 22.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.72 0.266 . . . . 1.0 111.72 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.0 tt 34.44 99.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.981 0.419 . . . . 1.0 111.902 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -133.61 -69.24 0.08 OUTLIER Glycine 0 N--CA 1.467 0.743 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.6 m 41.93 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 1.0 111.017 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.534 ' H ' HD22 ' C' ' 72' ' ' ASN . 87.3 mt-10 -51.16 127.43 19.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.48 -16.16 46.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' B' ' 88' ' ' GLU . 3.3 m-70 -76.1 -63.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.619 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 87' ' ' HIS . 8.7 pt-20 26.54 48.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.938 -0.574 . . . . 1.0 112.28 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.872 HD23 ' H ' ' B' ' 89' ' ' LEU . 1.5 pt? -103.92 -21.93 13.56 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.693 0.283 . . . . 1.0 111.264 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 91' ' ' GLY . 39.7 t -73.31 32.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 1.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.05 168.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.518 -1.033 . . . . 1.0 110.518 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.426 ' O ' ' SD ' ' B' ' 96' ' ' MET . 22.5 ptt180 -85.83 -25.1 26.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.92 -52.12 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 97' ' ' GLY . 66.9 tttt -67.48 -29.48 68.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.59 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.3 -38.57 1.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.582 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' B' ' 96' ' ' MET . 0.2 OUTLIER -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 179.192 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.53 -36.76 92.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.8 t -48.56 -33.8 10.31 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.717 -0.284 . . . . 1.0 111.371 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.05 -50.51 5.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.16 -21.41 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.191 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.1 t -69.96 -65.48 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.343 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.02 -47.58 68.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.535 0.683 . . . . 1.0 110.281 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.4 tp -68.14 -18.37 23.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.486 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -47.76 -49.66 27.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.86 0.362 . . . . 1.0 110.948 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.1 -41.39 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.212 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.75 -30.39 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.696 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.584 HG12 ' N ' ' B' ' 108' ' ' ALA . 2.7 t -80.94 -74.73 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.41 -0.219 . . . . 1.0 110.41 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.584 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -36.75 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.488 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 107' ' ' VAL . 26.1 t -92.41 -81.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.408 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -48.57 -34.68 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.43 ' O ' HD13 ' B' ' 115' ' ' LEU . 30.9 m -61.62 -54.11 47.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.386 -0.526 . . . . 1.0 110.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.78 -27.6 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.385 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 55.1 m -65.7 -57.92 6.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.035 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.416 HD13 ' N ' ' C' ' 55' ' ' ARG . 28.4 mt -65.77 -38.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.666 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.43 HD13 ' O ' ' B' ' 111' ' ' THR . 3.9 mp -53.73 -30.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.64 -36.04 73.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.13 -22.51 17.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -59.07 -30.94 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.205 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -68.49 -32.82 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.592 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 92.9 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.9 -30.18 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 120.897 0.38 . . . . 1.0 110.156 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.18 44.15 1.14 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.807 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -179.89 -86.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.087 0.47 . . . . 1.0 110.68 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -70.43 5.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.297 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 29' ' ' ALA . . . -36.1 -32.1 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.729 0.299 . . . . 1.0 111.707 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' C' ' 29' ' ' ALA . 37.9 t80 -95.77 -43.16 8.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.1 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.93 -27.5 67.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' C' ' 35' ' ' GLY . 54.0 tp60 -59.89 -63.63 1.23 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.32 -0.854 . . . . 1.0 109.068 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -42.13 -22.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.585 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.61 -48.36 2.99 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.97 -41.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.295 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.94 -62.89 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.573 ' O ' HG23 ' C' ' 42' ' ' VAL . 2.9 t -35.3 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.458 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' C' ' 37' ' ' ALA . 12.9 mt -89.82 -49.81 6.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' C' ' 37' ' ' ALA . 71.9 mt -64.96 -35.59 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.712 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' NH2' ' C' ' 55' ' ' ARG . . . -69.68 -25.19 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.7 t -78.68 -38.64 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.745 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -49.44 -47.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 54.8 mt -74.15 -44.24 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.697 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.76 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.681 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.43 -46.12 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 84.9 mt -139.28 101.81 4.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.63 96.7 10.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' C' ' 51' ' ' ASP . 47.8 t -147.67 -98.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 50' ' ' VAL . 4.6 p-10 40.21 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.766 0.317 . . . . 1.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 179.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.695 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.694 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -49.28 -27.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.152 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.32 -37.04 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.097 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.473 ' NH2' ' HB1' ' C' ' 41' ' ' ALA . 69.4 ttt180 -79.95 -48.17 13.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.297 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.72 -37.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.03 -45.94 52.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.42 -50.91 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.44 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.03 -53.52 36.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 1.0 110.182 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.1 m -46.44 -50.52 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.024 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 30.0 t -64.16 -63.97 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 1.0 111.678 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.62 -32.61 31.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.172 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' C' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.2 98.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.594 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.49 -50.89 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.97 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' C' ' 69' ' ' GLU . 94.1 t -60.81 -36.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.885 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.459 ' O ' ' N ' ' C' ' 69' ' ' GLU . 19.5 mtt -57.26 -50.04 74.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.029 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.32 -24.21 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-O 120.88 0.372 . . . . 1.0 110.189 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' C' ' 66' ' ' MET . 11.2 t -91.74 -31.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' C' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -47.99 6.13 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -178.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 73' ' ' SER . 4.0 pt -69.82 -50.86 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.241 -0.583 . . . . 1.0 110.093 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' C' ' 70' ' ' ILE . 5.8 tp -50.0 -40.52 44.62 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.801 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.534 HD22 ' H ' ' B' ' 85' ' ' GLU . 4.4 m120 -75.54 -12.37 60.21 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.8 t -90.02 -56.27 3.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.998 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -51.86 65.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.182 0.515 . . . . 1.0 110.031 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.434 HG22 ' O ' ' C' ' 71' ' ' LEU . 11.3 tt -51.1 -43.45 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.683 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 84.2 mt-10 -80.93 -23.65 38.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.599 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.83 -52.99 63.19 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.468 -0.493 . . . . 1.0 109.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.414 HG12 ' O ' ' C' ' 75' ' ' ILE . 3.5 p -53.35 -31.61 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -85.24 -24.04 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.73 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.3 m-20 -77.26 -103.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 82' ' ' ILE . 63.3 mtp180 -100.33 -8.85 22.92 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.708 0.262 . . . . 1.0 111.708 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.9 tt 34.4 99.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.942 0.401 . . . . 1.0 111.814 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -133.7 -69.33 0.08 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.425 ' O ' ' O ' ' C' ' 83' ' ' GLY . 24.2 m 41.99 -166.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.843 0.354 . . . . 1.0 111.022 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 85' ' ' GLU . . . . . 0.515 ' H ' HD22 ' A' ' 72' ' ' ASN . 87.3 mt-10 -51.14 127.47 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.516 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -83.5 -16.15 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.718 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' C' ' 88' ' ' GLU . 3.4 m-70 -76.12 -63.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' C' ' 87' ' ' HIS . 8.8 pt-20 26.51 48.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.659 0.599 . . . . 1.0 112.248 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.855 ' H ' HD23 ' C' ' 89' ' ' LEU . 1.5 pt? -103.78 -22.05 13.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.209 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 91' ' ' GLY . 40.1 t -73.22 32.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 1.0 110.867 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.02 168.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.582 -1.007 . . . . 1.0 110.582 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.423 ' O ' ' SD ' ' C' ' 96' ' ' MET . 22.5 ptt180 -85.9 -25.05 26.37 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.11 58.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' C' ' 97' ' ' GLY . 66.7 tttt -67.49 -29.53 68.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.62 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.27 -38.51 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' C' ' 96' ' ' MET . 0.2 OUTLIER -69.77 -43.78 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.6 -36.8 92.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -48.51 -33.86 10.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.727 -0.278 . . . . 1.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.99 -50.48 5.68 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.39 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.258 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.1 t -69.84 -65.5 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.329 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.09 -47.58 68.46 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.595 0.712 . . . . 1.0 110.307 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' C' ' 107' ' ' VAL . 1.4 tp -68.06 -18.36 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.416 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -47.9 -49.65 29.19 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.795 0.331 . . . . 1.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.1 -41.3 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.253 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.81 -30.41 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.646 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.587 HG12 ' N ' ' C' ' 108' ' ' ALA . 2.7 t -80.94 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 122.358 -0.214 . . . . 1.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.587 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -36.76 -29.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 1.0 111.442 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' C' ' 107' ' ' VAL . 26.3 t -92.43 -81.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.35 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.53 -34.84 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.425 ' O ' HD13 ' C' ' 115' ' ' LEU . 30.6 m -61.63 -53.93 49.69 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -62.93 -27.57 69.47 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.374 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 113' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 52.2 m -65.54 -58.02 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 55' ' ' ARG . 28.5 mt -65.74 -38.03 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.721 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.425 HD13 ' O ' ' C' ' 111' ' ' THR . 3.8 mp -53.63 -30.88 44.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.52 -36.16 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.04 -22.63 16.45 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.277 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.95 -30.93 68.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' C' ' 121' ' ' GLY . 46.3 m80 -68.56 -32.8 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.9 t80 49.1 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.001 -1.444 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.705 0.288 . . . . 1.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.33 -12.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 1.0 111.246 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.23 -63.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 30' ' ' ALA . 84.0 mt-10 -106.19 -46.71 4.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 25' ' ' TRP . . . -56.18 -4.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.13 -39.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.225 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ALA . 28.4 m-85 -67.32 -50.01 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.48 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' ALA . 16.8 mmm180 -63.69 -45.45 89.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.015 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.59 32.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.437 . . . . 1.0 110.542 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 38' ' ' VAL . 48.5 mm-40 -95.2 -43.85 7.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.71 -47.09 8.11 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 32' ' ' ARG . 85.5 t -49.97 -48.71 22.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -11.59 45.9 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.5 t -99.96 -30.26 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.379 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.25 -57.41 2.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.92 -0.4 . . . . 1.0 109.92 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.34 72.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.763 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.42 70.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.5 t -89.54 -43.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.648 0.261 . . . . 1.0 111.589 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.71 -44.52 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.748 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 45' ' ' ALA . 20.8 tt -60.78 -45.25 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.334 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.571 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -63.43 -30.04 71.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.24 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.34 -48.47 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.249 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -50.38 -52.17 39.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.97 -104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.282 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.8 t0 -159.82 -156.42 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 14.8 m -97.85 168.95 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' H ' HD11 ' B' ' 53' ' ' ILE . 14.0 p-10 -156.73 -148.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.769 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.18 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.111 0.481 . . . . 1.0 111.553 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 56' ' ' VAL . 30.8 pt -65.42 -26.73 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.344 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 54' ' ' THR . 23.9 p -41.9 -25.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.733 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ILE . 48.2 ttp85 -79.03 -47.81 15.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.175 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' ILE . 57.8 t -65.58 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.766 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.17 -43.19 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 1.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 62' ' ' VAL . 3.5 tt -50.58 -50.97 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.534 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 59' ' ' ILE . 11.5 pt -78.47 -40.88 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.683 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -45.98 -55.33 6.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.581 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -60.66 -51.04 71.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.297 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD12 ' C' ' 103' ' ' ILE . 89.3 t -55.06 -39.2 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.245 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.7 mtm -70.28 -49.84 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.63 -51.98 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.087 -0.245 . . . . 1.0 111.636 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.66 -30.09 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.117 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -58.37 -38.19 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.086 -0.709 . . . . 1.0 109.086 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' C' ' 66' ' ' MET . 41.9 mm -50.37 -49.09 24.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.992 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 t -84.98 -32.25 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 1.0 112.262 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -91.27 -80.96 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.507 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mm -43.91 -54.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.11 66.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.329 -0.948 . . . . 1.0 109.699 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.69 -11.85 59.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.099 0.476 . . . . 1.0 109.79 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ALA . 5.9 p -89.55 -52.81 4.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.07 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.548 ' HB1' HD11 ' B' ' 75' ' ' ILE . . . -58.83 -50.95 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.161 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 ' HB1' ' C' ' 74' ' ' ALA . 4.2 mm -52.91 -29.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.616 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' ASP . 42.9 mm-40 -92.92 -26.08 17.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.99 -52.2 66.49 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.39 -36.28 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.274 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.17 -27.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.58 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.9 m-20 -83.61 -111.15 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 112.002 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.694 ' HE ' ' NH1' ' C' ' 92' ' ' ARG . 60.3 mtm180 -106.07 -33.94 7.72 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.193 -0.458 . . . . 1.0 112.089 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.5 tt 37.0 102.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.457 0.646 . . . . 1.0 111.565 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.57 59.87 0.54 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.9 t -41.59 143.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 1.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 10.2 mp0 -63.34 165.35 7.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -83.87 -38.06 21.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -63.0 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.956 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -47.44 97.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 1.0 110.33 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLY . 5.3 tp -155.84 -21.1 0.11 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.793 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -63.04 61.42 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.882 0.373 . . . . 1.0 111.552 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 56.32 166.92 0.06 OUTLIER Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.684 ' NH1' ' HE ' ' B' ' 81' ' ' ARG . 32.3 ptt-85 -86.11 -19.36 30.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.096 0.474 . . . . 1.0 109.961 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -50.43 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.609 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.0 -34.69 78.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.164 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 32.4 m-20 -42.07 -35.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.004 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.4 mtt -74.16 -44.63 52.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.072 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.75 -38.77 96.02 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.231 -1.147 . . . . 1.0 110.231 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.6 p -48.67 -27.04 2.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 1.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -58.82 -21.3 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.388 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 40.9 t -72.66 -64.62 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.33 -46.14 69.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.398 0.618 . . . . 1.0 111.029 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.516 HD12 HG22 ' B' ' 62' ' ' VAL . 4.9 pt -71.91 -17.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . -44.8 -48.93 10.97 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.353 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 3.2 pt -65.5 -42.72 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.346 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 110' ' ' ILE . 95.2 mt -74.35 -64.12 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 120.121 -0.631 . . . . 1.0 111.108 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' VAL . 42.0 t -50.46 -77.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.87 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . -32.04 -34.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.088 0.47 . . . . 1.0 111.641 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.9 t -90.64 -76.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.5 mp -45.13 -29.58 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.521 -0.309 . . . . 1.0 110.885 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 112' ' ' TRP . 7.1 t -62.72 -45.72 91.42 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.454 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.517 ' N ' HG23 ' A' ' 111' ' ' THR . 60.4 t-105 -64.52 -27.92 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.12 -57.32 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.8 tt -55.76 -48.01 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -59.92 -45.02 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.969 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 120' ' ' PHE . 9.0 t -49.43 -37.07 24.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.499 ' H ' ' C ' ' A' ' 118' ' ' SER . 89.8 t80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 1.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.566 ' CD1' ' CB ' ' B' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.725 0.298 . . . . 1.0 111.195 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.46 -12.24 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 1.0 111.196 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.24 -63.35 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.897 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 30' ' ' ALA . 83.6 mt-10 -106.13 -46.91 3.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' B' ' 25' ' ' TRP . . . -56.05 -4.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.08 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.196 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.29 -50.01 61.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.482 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' ALA . 16.8 mmm180 -63.54 -45.54 90.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.013 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.61 32.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.001 0.429 . . . . 1.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 38' ' ' VAL . 48.5 mm-40 -95.1 -43.93 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.291 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -47.23 8.12 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 32' ' ' ARG . 85.1 t -49.94 -48.7 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.214 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.63 -11.63 46.31 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.896 -0.322 . . . . 1.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 34' ' ' GLU . 78.5 t -99.91 -30.19 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.421 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.24 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.977 -0.379 . . . . 1.0 109.977 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.35 72.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -31.41 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.441 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 38' ' ' VAL . 89.7 t -89.51 -43.84 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 120.67 0.271 . . . . 1.0 111.586 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.63 -44.49 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.75 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.55 HG23 ' N ' ' B' ' 45' ' ' ALA . 20.8 tt -60.88 -45.2 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.35 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.55 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -63.34 -30.15 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.25 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.28 -48.47 42.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.42 -52.08 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.105 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.02 -104.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.354 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.8 t0 -159.87 -156.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.547 -0.297 . . . . 1.0 110.385 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.5 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 14.6 m -97.92 168.91 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.517 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.472 ' H ' HD11 ' C' ' 53' ' ' ILE . 14.0 p-10 -156.65 -148.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.787 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.24 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 1.0 111.661 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 56' ' ' VAL . 30.9 pt -65.4 -26.79 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.291 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.5 p -41.83 -25.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.825 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 53' ' ' ILE . 48.3 ttp85 -79.01 -47.85 15.51 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.114 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 53' ' ' ILE . 57.5 t -65.55 -31.79 55.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.305 -0.861 . . . . 1.0 110.736 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tp -53.09 -43.27 66.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.018 0.437 . . . . 1.0 110.564 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.543 ' O ' HG23 ' B' ' 62' ' ' VAL . 3.5 tt -50.49 -51.0 51.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.419 ' H ' HG12 ' B' ' 59' ' ' ILE . 11.3 pt -78.57 -40.81 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -46.03 -55.28 7.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.61 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -60.61 -51.16 70.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 1.0 110.35 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 58' ' ' LEU . 89.6 t -55.01 -39.17 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.201 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.16 -49.91 45.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.64 -52.02 65.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.619 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -30.16 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.447 ' SD ' HD12 ' C' ' 67' ' ' ILE . 0.0 OUTLIER -58.21 -38.17 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 179.281 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 66' ' ' MET . 41.5 mm -50.46 -49.1 25.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.165 -0.925 . . . . 1.0 111.013 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.95 -32.21 7.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.327 0.492 . . . . 1.0 112.327 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.2 -81.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 31.1 mm -43.76 -54.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.506 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -54.67 -38.2 66.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.332 -0.947 . . . . 1.0 109.721 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.74 -11.67 59.99 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 77' ' ' ALA . 5.9 p -89.63 -52.91 4.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.733 -0.667 . . . . 1.0 109.97 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.566 ' HB1' HD11 ' C' ' 75' ' ' ILE . . . -58.79 -50.96 72.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.548 HD11 ' HB1' ' A' ' 74' ' ' ALA . 4.3 mm -52.84 -29.51 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.896 -1.047 . . . . 1.0 109.606 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 80' ' ' ASP . 43.0 mm-40 -92.82 -26.09 17.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.87 -52.23 66.32 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.39 -36.31 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.245 -0.889 . . . . 1.0 109.332 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.24 -27.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.503 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.7 m-20 -83.69 -111.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.99 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.684 ' HE ' ' NH1' ' A' ' 92' ' ' ARG . 60.3 mtm180 -106.08 -33.85 7.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.129 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.6 tt 36.94 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.441 0.638 . . . . 1.0 111.639 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.65 60.03 0.53 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.569 -1.012 . . . . 1.0 110.569 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -41.56 143.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 1.0 110.975 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' B' ' 85' ' ' GLU . 10.2 mp0 -63.26 165.31 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -83.84 -38.03 21.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -62.99 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.983 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.47 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' B' ' 91' ' ' GLY . 5.3 tp -155.9 -21.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.749 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.5 m -63.08 61.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.924 0.392 . . . . 1.0 111.603 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 56.34 166.9 0.06 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.689 ' NH1' ' HE ' ' C' ' 81' ' ' ARG . 32.3 ptt-85 -86.04 -19.44 30.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 1.0 110.002 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.43 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.66 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.08 -34.64 78.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.123 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 32.4 m-20 -42.16 -35.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.978 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 24.0 mtt -74.08 -44.68 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.116 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.455 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.71 -38.71 95.98 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.215 -1.154 . . . . 1.0 110.215 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.0 p -48.85 -26.98 2.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.791 0.329 . . . . 1.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.38 -48.25 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.101 0.477 . . . . 1.0 109.825 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -58.81 -21.23 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.32 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 97' ' ' GLY . 40.6 t -72.71 -64.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.27 -46.22 69.18 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.473 0.654 . . . . 1.0 111.054 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 62' ' ' VAL . 4.9 pt -71.84 -17.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' B' ' 108' ' ' ALA . . . -44.88 -48.84 11.19 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 3.2 pt -65.56 -42.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' B' ' 110' ' ' ILE . 95.1 mt -74.43 -63.97 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.086 -0.646 . . . . 1.0 111.138 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' B' ' 103' ' ' ILE . 41.7 t -50.61 -76.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.895 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 104' ' ' ALA . . . -32.06 -34.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.041 0.448 . . . . 1.0 111.63 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.7 t -90.59 -76.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.487 ' N ' HD12 ' B' ' 110' ' ' ILE . 1.5 mp -45.05 -29.61 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.866 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 112' ' ' TRP . 7.1 t -62.71 -45.69 91.58 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.489 -0.484 . . . . 1.0 110.466 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' TRP . . . . . 0.503 ' N ' HG23 ' B' ' 111' ' ' THR . 60.4 t-105 -64.6 -27.92 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.13 -57.38 8.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -39.63 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.591 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.565 ' O ' HD23 ' B' ' 115' ' ' LEU . 1.8 tt -55.87 -47.94 76.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.524 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -59.87 -45.02 93.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.05 179.24 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.34 -40.26 90.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.402 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.9 t -49.48 -37.09 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.443 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.56 4.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.979 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' B' ' 118' ' ' SER . 89.7 t80 . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.564 ' CD1' ' CB ' ' C' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.637 0.256 . . . . 1.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.409 ' H ' HG23 ' C' ' 26' ' ' ILE . 5.1 pt -57.28 -12.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 1.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -61.24 -63.28 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.909 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' C' ' 30' ' ' ALA . 83.9 mt-10 -106.2 -46.84 3.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.614 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' C' ' 25' ' ' TRP . . . -56.07 -4.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.837 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.07 -39.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.233 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' C' ' 29' ' ' ALA . 28.2 m-85 -67.32 -49.95 62.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.531 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' C' ' 29' ' ' ALA . 16.9 mmm180 -63.64 -45.54 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.988 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.93 -15.63 33.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.064 0.459 . . . . 1.0 110.595 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.503 ' O ' HG23 ' C' ' 38' ' ' VAL . 48.8 mm-40 -95.09 -43.87 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.268 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.57 -47.24 8.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 32' ' ' ARG . 85.2 t -50.04 -48.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.254 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -11.5 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.503 HG23 ' O ' ' C' ' 34' ' ' GLU . 77.5 t -99.91 -30.27 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.372 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.23 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.8 OUTLIER -56.73 -38.4 72.31 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.729 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.96 -31.34 70.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' C' ' 38' ' ' VAL . 88.4 t -89.58 -43.7 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.6 0.238 . . . . 1.0 111.578 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.76 -44.44 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 1.0 110.701 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.558 HG23 ' N ' ' C' ' 45' ' ' ALA . 20.8 tt -60.93 -45.2 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.347 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.558 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -63.35 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.3 -48.61 40.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.31 -52.08 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 mt -79.97 -104.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.321 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.8 t0 -159.89 -156.4 0.5 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.341 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' VAL . . . . . 0.493 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 14.8 m -97.93 168.84 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.51 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.475 ' H ' HD11 ' A' ' 53' ' ' ILE . 13.9 p-10 -156.64 -148.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.783 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -174.05 5.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.074 0.464 . . . . 1.0 111.641 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 56' ' ' VAL . 30.4 pt -65.51 -26.69 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.312 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' THR . . . . . 0.415 HG23 ' H ' ' C' ' 54' ' ' THR . 23.8 p -41.91 -25.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.718 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 53' ' ' ILE . 48.3 ttp85 -79.04 -47.74 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.201 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' C' ' 53' ' ' ILE . 57.9 t -65.63 -31.73 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.73 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.1 -43.29 66.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.011 0.434 . . . . 1.0 110.467 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.549 ' O ' HG23 ' C' ' 62' ' ' VAL . 3.5 tt -50.5 -50.99 51.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.635 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.433 HG12 ' H ' ' C' ' 59' ' ' ILE . 11.4 pt -78.51 -40.86 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.69 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' B' ' 59' ' ' ILE . 5.5 t -45.97 -55.37 6.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.54 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 9.1 t -60.72 -51.03 71.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.214 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 58' ' ' LEU . 89.3 t -55.13 -39.08 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.225 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.26 -49.95 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.55 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.632 0.234 . . . . 1.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.52 -30.25 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.077 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.45 ' SD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -58.23 -38.21 76.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 67' ' ' ILE . . . . . 0.447 HD12 ' SD ' ' B' ' 66' ' ' MET . 41.4 mm -50.33 -49.12 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.035 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.93 -32.24 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -91.19 -80.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.984 0.421 . . . . 1.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.9 -54.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.586 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' C' ' 71' ' ' LEU . 0.1 OUTLIER -54.73 -38.13 66.75 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 119.393 -0.923 . . . . 1.0 109.677 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.73 -11.83 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 1.0 109.792 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.475 ' O ' ' N ' ' C' ' 77' ' ' ALA . 5.8 p -89.48 -52.91 4.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.079 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 75' ' ' ILE . . . -58.85 -50.89 72.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.621 -0.718 . . . . 1.0 109.191 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.566 HD11 ' HB1' ' B' ' 74' ' ' ALA . 4.3 mm -52.87 -29.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.583 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 80' ' ' ASP . 43.0 mm-40 -92.91 -25.97 17.82 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.97 -52.23 66.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.34 -36.28 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.278 -0.874 . . . . 1.0 109.325 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.35 -27.83 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.524 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' C' ' 76' ' ' GLU . 62.0 m-20 -83.71 -111.2 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.938 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.689 ' HE ' ' NH1' ' B' ' 92' ' ' ARG . 60.1 mtm180 -105.98 -33.92 7.76 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.182 0.438 . . . . 1.0 112.182 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.5 tt 36.96 102.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 1.0 111.583 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.62 60.03 0.53 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.526 -1.03 . . . . 1.0 110.526 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -41.65 143.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.793 0.33 . . . . 1.0 111.012 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 10.1 mp0 -63.34 165.3 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -83.82 -38.08 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -62.98 -62.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.932 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.54 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' C' ' 91' ' ' GLY . 5.9 tp -155.8 -21.03 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.727 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -63.14 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.983 0.42 . . . . 1.0 111.621 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 56.26 166.96 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.694 ' NH1' ' HE ' ' A' ' 81' ' ' ARG . 32.3 ptt-85 -86.14 -19.4 30.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 1.0 109.91 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.47 66.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.622 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -67.06 -34.56 77.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.812 0.339 . . . . 1.0 111.236 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 32.4 m-20 -42.02 -35.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.017 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 24.2 mtt -74.25 -44.6 52.36 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.087 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.46 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.6 -38.85 96.23 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.255 -1.138 . . . . 1.0 110.255 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 69.5 p -48.73 -26.99 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.745 0.307 . . . . 1.0 110.56 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -58.89 -21.22 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.679 . . . . 1.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.46 HG23 ' O ' ' C' ' 97' ' ' GLY . 40.5 t -72.84 -64.48 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 112.306 0.484 . . . . 1.0 112.306 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 mt -53.34 -46.22 69.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.403 0.62 . . . . 1.0 110.988 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 62' ' ' VAL . 4.9 pt -71.86 -17.76 19.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' C' ' 108' ' ' ALA . . . -44.79 -48.96 10.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.941 0.4 . . . . 1.0 110.381 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 3.2 pt -65.5 -42.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' C' ' 110' ' ' ILE . 95.2 mt -74.48 -63.96 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.077 -0.649 . . . . 1.0 111.097 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' C' ' 109' ' ' VAL . 41.9 t -50.63 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.885 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' C' ' 104' ' ' ALA . . . -31.96 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.096 0.474 . . . . 1.0 111.649 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.9 t -90.66 -75.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 110' ' ' ILE . . . . . 0.486 ' N ' HD12 ' C' ' 110' ' ' ILE . 1.5 mp -45.15 -29.65 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.857 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 112' ' ' TRP . 7.1 t -62.55 -45.84 91.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 112' ' ' TRP . . . . . 0.512 ' N ' HG23 ' C' ' 111' ' ' THR . 60.5 t-105 -64.56 -27.95 69.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.15 -57.35 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.619 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.569 ' O ' HD23 ' C' ' 115' ' ' LEU . 1.9 tt -55.89 -47.88 76.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.528 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -59.82 -45.17 93.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.913 179.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.35 -40.27 90.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.313 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 118' ' ' SER . . . . . 0.497 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.9 t -49.48 -37.02 24.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' C' ' 121' ' ' GLY . 89.6 t80 -44.91 163.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 1.0 110.553 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.682 0 CA-C-O 117.974 -1.459 . . . . 1.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.4 ' C ' ' H ' ' A' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.91 0.386 . . . . 1.0 110.476 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 pt -55.25 -11.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.203 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 16.2 p-10 -60.25 -60.97 2.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.435 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 30' ' ' ALA . 66.4 mt-10 -107.19 -44.84 4.26 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.752 0.311 . . . . 1.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -58.03 -3.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' O ' ' SD ' ' C' ' 96' ' ' MET . . . -32.93 -39.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.662 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -96.63 -35.62 10.99 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.253 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.24 -41.61 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 1.0 110.095 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.01 -63.31 1.34 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.571 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.6 tt0 -44.43 -36.41 2.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.941 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.79 -58.67 7.99 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.82 -34.27 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -6.5 9.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.34 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 34' ' ' GLU . 23.6 t -103.36 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.323 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.3 mp -91.93 -48.67 6.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.162 0.506 . . . . 1.0 110.648 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.66 -42.16 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.109 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.47 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 43' ' ' VAL . 10.6 m -96.5 -37.65 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 39' ' ' LEU . 25.6 t -57.92 -48.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.569 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 45' ' ' ALA . 4.4 pt -72.82 -46.98 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.253 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 44' ' ' ILE . . . -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 1.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -71.63 -46.54 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.331 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -52.67 -44.92 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.32 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.434 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 45.6 p-10 -84.42 -160.12 0.45 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.656 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.42 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.36 152.91 51.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.002 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.57 -59.84 2.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.407 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.837 HD11 HG21 ' C' ' 56' ' ' VAL . 9.6 tp -173.44 -31.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.579 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -50.0 -35.12 23.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.749 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -78.87 -48.06 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 HD11 ' B' ' 53' ' ' ILE . 94.3 t -63.25 -45.23 98.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.619 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.1 tt -48.47 -50.56 31.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 1.0 109.914 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 62' ' ' VAL . 79.6 mt -46.72 -41.99 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.691 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.21 -49.99 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.907 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.14 -55.79 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.716 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 t -63.98 -63.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.116 0.484 . . . . 1.0 110.531 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 58' ' ' LEU . 45.1 t -51.33 -32.08 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.867 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.6 ttm -58.84 -30.94 68.05 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.429 -0.508 . . . . 1.0 109.929 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' C' ' 38' ' ' VAL . 37.1 mt -64.0 -44.99 90.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.3 -33.65 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.935 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 31.1 mtt -62.55 -49.85 73.66 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.287 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -44.31 -30.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.684 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.39 -28.7 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 1.0 111.63 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.23 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.778 0.323 . . . . 1.0 111.053 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 66' ' ' MET . 44.5 mm -62.34 -60.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.35 -36.72 44.3 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.946 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -71.47 -11.05 60.68 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.43 0.634 . . . . 1.0 109.395 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.2 p -89.73 -54.25 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.91 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.44 -52.09 67.07 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.546 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 76' ' ' GLU . 10.7 tp -50.45 -46.08 26.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.155 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 75' ' ' ILE . 15.0 tt0 -79.73 -23.7 42.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.06 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.08 -54.78 43.07 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.531 -0.467 . . . . 1.0 110.759 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.94 -31.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.59 -33.67 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.237 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' GLU . 84.3 m-20 -83.01 -108.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 83' ' ' GLY . 73.6 mtp180 -104.53 6.02 34.39 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.321 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt 67.2 -28.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 81' ' ' ARG . . . 105.78 1.78 39.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 4.4 t 65.45 59.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 1.0 110.964 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.12 88.26 7.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.339 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.443 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 56.9 m-85 -79.01 -31.44 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.975 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 2.2 m-70 -58.79 -63.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.895 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' C ' ' H ' ' A' ' 90' ' ' SER . 5.8 tt0 32.73 -146.31 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.331 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 tp 62.72 -27.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.278 0.473 . . . . 1.0 112.278 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.582 ' H ' ' C ' ' A' ' 88' ' ' GLU . 11.7 m -52.9 -1.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.882 0.326 . . . . 1.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.21 172.29 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.554 -1.019 . . . . 1.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.06 -24.55 21.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.68 -52.61 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.791 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -69.08 -28.3 66.39 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.947 0.403 . . . . 1.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 80.4 m-20 -44.31 -41.43 5.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.466 -0.494 . . . . 1.0 110.805 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' B' ' 30' ' ' ALA . 6.1 mtp -82.23 -50.3 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.886 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -61.26 -46.54 94.24 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.371 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -49.36 -31.0 8.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.764 0.316 . . . . 1.0 111.092 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.83 -53.12 4.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.52 -21.83 62.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.799 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.1 p -72.17 -62.18 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.591 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.4 tp -52.93 -44.79 67.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.895 0.855 . . . . 1.0 109.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 107' ' ' VAL . 28.5 mm -75.05 -22.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.3 -0.863 . . . . 1.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -38.16 -49.01 1.31 Allowed 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.092 0.473 . . . . 1.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.7 pt -69.56 -40.72 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.299 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 89.7 mt -70.73 -34.72 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.272 -0.571 . . . . 1.0 112.291 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.892 HG13 ' H ' ' A' ' 108' ' ' ALA . 9.4 p -82.86 -71.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.892 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -38.96 -28.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.627 0.251 . . . . 1.0 111.455 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 105' ' ' ILE . 87.0 t -86.05 -80.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.338 . . . . 1.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.54 -24.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.132 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 49.8 m -59.37 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 1.0 110.566 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.2 -22.47 11.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.42 -57.56 9.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.366 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 114' ' ' ILE . 1.8 mp -65.17 -46.46 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.327 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.11 -33.79 65.44 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.53 -45.96 60.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.457 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.12 -20.97 1.67 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.29 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -60.02 -26.44 66.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -63.53 -5.84 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.544 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.43 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 71.0 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.907 0.384 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 pt -55.33 -11.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 28' ' ' GLU . 16.2 p-10 -60.23 -61.0 2.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.48 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 66.3 mt-10 -107.1 -44.85 4.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 1.0 110.721 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -58.11 -3.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.756 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.503 ' O ' ' SD ' ' A' ' 96' ' ' MET . . . -32.82 -39.37 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.652 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -96.62 -35.7 10.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.251 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.15 -41.67 99.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.071 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.633 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 38' ' ' VAL . 30.5 tt0 -44.6 -36.26 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.93 -58.61 7.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 109.386 -1.486 . . . . 1.0 109.386 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.83 -34.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.4 -6.43 10.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.284 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' C' ' 64' ' ' LEU . 24.0 t -103.4 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.302 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.3 mp -91.98 -48.55 6.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.136 0.493 . . . . 1.0 110.703 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.66 -42.07 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.51 69.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.304 0.483 . . . . 1.0 112.304 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -96.48 -37.54 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 39' ' ' LEU . 25.6 t -58.02 -48.68 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.466 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.473 ' CG1' ' N ' ' B' ' 45' ' ' ALA . 4.4 pt -72.8 -47.02 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 44' ' ' ILE . . . -59.03 -34.62 72.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.55 -46.57 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -52.75 -44.85 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 mt -95.37 -144.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ALA . 45.7 p-10 -84.49 -160.08 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.564 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.34 152.93 51.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.358 -0.383 . . . . 1.0 109.987 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.67 -59.78 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.331 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 56' ' ' VAL . 9.6 tp -173.53 -31.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.61 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.748 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -78.88 -48.05 15.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 1.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.825 HG21 HD11 ' C' ' 53' ' ' ILE . 94.2 t -63.36 -45.09 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.661 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.1 tt -48.57 -50.51 32.03 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.891 -0.411 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.503 ' O ' HG23 ' B' ' 62' ' ' VAL . 79.7 mt -46.75 -41.92 16.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.685 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 80.3 mt -78.27 -49.95 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.892 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.25 -55.78 16.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.709 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.1 t -63.95 -63.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.002 0.43 . . . . 1.0 110.489 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 58' ' ' LEU . 45.3 t -51.37 -32.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 63' ' ' MET . 30.6 ttm -58.8 -31.01 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.859 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.453 ' HB3' HG22 ' A' ' 38' ' ' VAL . 36.7 mt -63.94 -45.05 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.24 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.934 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' B' ' 70' ' ' ILE . 31.0 mtt -62.68 -49.71 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.273 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.39 -30.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.624 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -91.5 -28.61 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.671 0.272 . . . . 1.0 111.56 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.22 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.856 0.36 . . . . 1.0 111.105 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.6 mm -62.51 -60.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.167 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.38 -36.64 44.27 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.962 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -71.5 -11.0 60.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.368 0.604 . . . . 1.0 109.374 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.2 p -89.78 -54.27 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.882 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.442 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.622 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.459 HG23 ' N ' ' B' ' 76' ' ' GLU . 10.7 tp -50.39 -46.1 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.428 -0.806 . . . . 1.0 110.2 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.459 ' N ' HG23 ' B' ' 75' ' ' ILE . 15.0 tt0 -79.76 -23.67 42.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.805 -0.358 . . . . 1.0 111.07 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.06 -54.71 43.89 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.77 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -54.09 -31.16 21.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -82.62 -33.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.165 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' GLU . 84.3 m-20 -82.95 -108.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.51 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' B' ' 83' ' ' GLY . 73.5 mtp180 -104.53 6.0 34.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.356 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' B' ' 77' ' ' ALA . 5.7 mt 67.3 -28.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.429 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 81' ' ' ARG . . . 105.94 1.66 39.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' B' ' 86' ' ' TYR . 4.3 t 65.43 59.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.755 0.312 . . . . 1.0 110.942 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.16 88.23 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.28 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' OG ' ' B' ' 84' ' ' SER . 56.9 m-85 -78.92 -31.56 45.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.062 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 2.2 m-70 -58.73 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.919 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' B' ' 90' ' ' SER . 5.8 tt0 32.82 -146.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.226 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 tp 62.6 -27.31 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.355 0.502 . . . . 1.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.574 ' H ' ' C ' ' B' ' 88' ' ' GLU . 11.7 m -52.98 -1.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.24 172.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.02 -24.61 21.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.47 44.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.86 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -69.18 -28.35 66.33 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.89 0.376 . . . . 1.0 111.122 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 80.4 m-20 -44.22 -41.5 5.87 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.401 -0.52 . . . . 1.0 110.846 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' C' ' 30' ' ' ALA . 6.2 mtp -82.16 -50.29 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.844 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.459 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -61.31 -46.47 94.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 120.768 -0.73 . . . . 1.0 111.392 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -49.45 -30.94 8.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.805 0.336 . . . . 1.0 111.146 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.79 -53.18 4.12 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.38 -21.92 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.828 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.697 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.3 p -72.08 -62.36 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 120.827 -0.349 . . . . 1.0 111.565 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.697 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.6 tp -53.09 -44.5 67.63 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.874 0.845 . . . . 1.0 109.539 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 107' ' ' VAL . 28.2 mm -75.08 -22.46 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.421 -0.808 . . . . 1.0 111.178 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -38.16 -48.96 1.31 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.117 0.484 . . . . 1.0 110.733 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 2.7 pt -69.54 -40.75 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.427 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' B' ' 103' ' ' ILE . 89.8 mt -70.69 -34.79 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 120.239 -0.584 . . . . 1.0 112.285 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.917 HG13 ' H ' ' B' ' 108' ' ' ALA . 9.3 p -82.86 -71.17 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.242 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.917 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -38.74 -28.73 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.586 0.231 . . . . 1.0 111.461 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' B' ' 105' ' ' ILE . 86.5 t -85.96 -80.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 1.0 110.605 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.72 -24.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.142 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 48.9 m -59.4 -53.71 55.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 1.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -54.26 -22.41 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.367 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.38 -57.62 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.395 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.652 ' H ' HD12 ' B' ' 114' ' ' ILE . 1.8 mp -64.99 -46.66 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.37 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 45.2 mt -56.0 -33.84 65.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.138 -0.689 . . . . 1.0 109.138 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 62.6 tp -71.44 -45.98 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.602 -0.726 . . . . 1.0 109.465 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 53.3 t-105 -51.19 -21.06 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.17 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.97 -26.38 65.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.336 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.55 -5.75 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.434 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 70.9 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' C' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.976 0.417 . . . . 1.0 110.533 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt -55.31 -11.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.1 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' C' ' 28' ' ' GLU . 16.2 p-10 -60.21 -61.04 2.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.442 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' C' ' 30' ' ' ALA . 66.4 mt-10 -107.08 -44.9 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.744 0.307 . . . . 1.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' C' ' 30' ' ' ALA . . . -57.99 -3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.769 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' B' ' 96' ' ' MET . . . -32.91 -39.31 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.611 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.61 -35.61 11.0 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.266 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -63.22 -41.64 99.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.044 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -60.04 -63.27 1.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.575 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.465 ' O ' HG23 ' C' ' 38' ' ' VAL . 30.5 tt0 -44.49 -36.26 2.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.991 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.72 7.9 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 109.381 -1.488 . . . . 1.0 109.381 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.73 -34.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -6.38 9.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.283 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 64' ' ' LEU . 23.5 t -103.37 -24.7 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.365 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.572 ' N ' HD12 ' C' ' 39' ' ' LEU . 9.3 mp -92.04 -48.54 6.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.087 0.47 . . . . 1.0 110.613 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -41.92 77.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.067 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.46 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' C' ' 43' ' ' VAL . 10.6 m -96.56 -37.65 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 39' ' ' LEU . 25.6 t -57.9 -48.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.575 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.474 ' CG1' ' N ' ' C' ' 45' ' ' ALA . 4.4 pt -72.84 -47.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.255 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' C' ' 44' ' ' ILE . . . -58.92 -34.73 72.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.53 -46.57 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -52.68 -44.95 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.367 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.28 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ALA . 45.7 p-10 -84.46 -160.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -98.85 -151.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.591 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.33 152.92 51.95 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.62 -59.87 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.825 HD11 HG21 ' B' ' 56' ' ' VAL . 9.6 tp -173.48 -31.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.743 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -78.86 -48.05 15.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 1.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 53' ' ' ILE . 94.9 t -63.29 -45.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.606 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.513 ' O ' HD23 ' C' ' 57' ' ' LEU . 1.1 tt -48.57 -50.49 32.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.998 0.428 . . . . 1.0 109.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 79.5 mt -46.8 -41.85 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.693 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.29 -50.0 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -51.23 -55.77 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.707 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -63.96 -63.01 1.27 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.043 0.449 . . . . 1.0 110.494 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 45.0 t -51.44 -31.97 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.877 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttm -58.88 -30.95 68.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.372 -0.531 . . . . 1.0 109.951 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 38' ' ' VAL . 37.3 mt -63.95 -45.04 90.93 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.19 -33.76 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.938 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' C' ' 70' ' ' ILE . 31.0 mtt -62.47 -49.82 73.87 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.325 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.41 -30.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.643 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.42 -28.64 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.761 0.315 . . . . 1.0 111.601 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -95.35 -57.22 2.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.751 0.31 . . . . 1.0 111.031 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 66' ' ' MET . 44.7 mm -62.41 -60.29 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.22 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.43 -36.6 44.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.242 -0.583 . . . . 1.0 109.982 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -71.49 -11.11 60.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.2 p -89.72 -54.24 4.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.931 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.47 -52.06 67.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.575 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.48 HG23 ' N ' ' C' ' 76' ' ' GLU . 10.7 tp -50.42 -46.1 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.48 ' N ' HG23 ' C' ' 75' ' ' ILE . 15.1 tt0 -79.82 -23.61 41.94 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.888 -0.325 . . . . 1.0 111.043 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.11 -54.79 42.93 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.733 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.99 -31.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.52 -33.72 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.202 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 76' ' ' GLU . 84.4 m-20 -83.0 -108.18 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.444 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' C' ' 83' ' ' GLY . 73.7 mtp180 -104.6 6.14 34.28 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.359 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 77' ' ' ALA . 5.7 mt 67.13 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' C' ' 81' ' ' ARG . . . 105.87 1.72 39.51 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' C' ' 86' ' ' TYR . 4.3 t 65.44 59.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.08 88.25 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' TYR . . . . . 0.419 ' CE2' ' OG ' ' C' ' 84' ' ' SER . 56.9 m-85 -78.94 -31.59 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 2.2 m-70 -58.69 -63.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.584 ' C ' ' H ' ' C' ' 90' ' ' SER . 5.8 tt0 32.82 -146.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.231 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 tp 62.63 -27.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.584 ' H ' ' C ' ' C' ' 88' ' ' GLU . 12.4 m -52.88 -1.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.849 0.314 . . . . 1.0 111.849 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.26 172.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.535 -1.026 . . . . 1.0 110.535 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -89.97 -24.49 21.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.3 0.571 . . . . 1.0 109.465 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.69 -52.55 43.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.812 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' C' ' 98' ' ' SER . 31.8 mttt -69.16 -28.39 66.38 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.847 0.356 . . . . 1.0 111.029 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 80.6 m-20 -44.17 -41.54 5.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.848 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 30' ' ' ALA . 6.1 mtp -82.09 -50.39 9.11 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.895 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.462 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -61.18 -46.63 94.1 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 98' ' ' SER . . . . . 0.402 ' N ' ' O ' ' C' ' 94' ' ' LYS . 66.4 m -49.32 -31.11 8.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.813 0.339 . . . . 1.0 111.041 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.77 -53.14 4.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.4 -21.94 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.851 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.2 p -72.15 -62.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 120.761 -0.376 . . . . 1.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 9.4 tp -52.94 -44.75 67.29 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.857 0.836 . . . . 1.0 109.457 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.463 ' O ' HG12 ' C' ' 107' ' ' VAL . 28.2 mm -75.11 -22.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -38.19 -48.95 1.32 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.123 0.487 . . . . 1.0 110.721 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.7 pt -69.64 -40.73 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.31 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' C' ' 103' ' ' ILE . 89.5 mt -70.68 -34.75 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.318 -0.553 . . . . 1.0 112.296 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.889 HG13 ' H ' ' C' ' 108' ' ' ALA . 9.3 p -82.86 -71.18 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.889 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -38.82 -28.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 1.0 111.516 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' C' ' 105' ' ' ILE . 86.5 t -86.05 -80.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.626 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 47.0 mt -48.72 -24.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.118 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 49.4 m -59.46 -53.68 55.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 1.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.24 -22.44 11.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.338 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.5 -57.44 10.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.6 . . . . 1.0 111.393 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.675 HD12 ' H ' ' C' ' 114' ' ' ILE . 1.8 mp -65.23 -46.55 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.29 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.97 -33.82 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 62.5 tp -71.46 -46.0 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.528 -0.76 . . . . 1.0 109.488 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.1 -21.08 1.7 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.281 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 -26.42 66.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.285 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -63.47 -5.88 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 70.8 t80 -78.98 -98.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.509 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.004 -1.442 . . . . 1.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 m0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.792 0.329 . . . . 1.0 110.675 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -80.1 -29.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.151 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -108.3 41.66 1.52 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.211 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -176.68 -90.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.099 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -68.87 4.44 1.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.382 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TRP . . . -36.36 -34.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.567 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 52.1 p90 -94.32 -41.35 9.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.028 0.442 . . . . 1.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 57.8 ttt-85 -64.81 -26.49 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.02 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.0 -61.27 2.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.745 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.26 -30.3 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.471 -0.786 . . . . 1.0 111.463 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' VAL . . . -89.57 -59.18 1.55 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.002 -0.618 . . . . 1.0 112.118 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 32' ' ' ARG . 5.4 p -47.09 -33.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.171 -0.606 . . . . 1.0 110.541 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.57 -58.84 6.32 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.06 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 35' ' ' GLY . 1.4 m -39.02 -20.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.944 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.56 -54.36 4.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' ALA . 20.1 mt -58.02 -34.78 70.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.027 -0.988 . . . . 1.0 110.062 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.56 61.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.799 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' VAL . 32.8 t -85.89 -44.14 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.6 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 44' ' ' ILE . 15.6 m -57.76 -46.44 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.596 -0.441 . . . . 1.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.587 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.1 tp -73.82 -48.1 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.621 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.587 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -52.31 -34.31 46.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 1.0 110.344 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.18 -44.86 95.66 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.766 -0.457 . . . . 1.0 109.766 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 6.4 m0 -73.54 -42.89 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -84.74 171.43 12.32 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.129 -0.323 . . . . 1.0 110.129 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 -150.28 0.3 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.59 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 51' ' ' ASP . 9.3 t -146.93 159.96 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.188 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 30.5 t0 -153.34 -139.29 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.517 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -60.1 -176.91 0.05 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -155.35 19.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.114 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.57 0.3 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.013 0.435 . . . . 1.0 110.186 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 5.1 mmp_? -60.01 -40.5 89.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.542 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 53' ' ' ILE . 54.8 t -45.92 -31.99 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.213 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.64 -51.06 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.609 -0.437 . . . . 1.0 109.882 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -55.28 -49.08 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.989 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' MET . 85.5 mt -66.86 -55.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 1.0 109.92 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.23 -36.41 3.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.05 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -62.58 -59.85 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.43 -27.43 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.098 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ILE . 27.4 ttp -58.79 -40.32 83.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.94 -34.75 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG22 HG21 ' C' ' 38' ' ' VAL . 12.2 t -61.61 -32.05 52.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.966 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.9 mmm -54.43 -48.73 71.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -50.29 -27.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.814 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.63 -27.25 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.755 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.21 -52.84 3.54 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.775 0.321 . . . . 1.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' MET . 35.8 mm -63.81 -58.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' C' ' 74' ' ' ALA . 2.6 tp -52.54 -35.74 54.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.74 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.39 -9.8 59.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.118 0.485 . . . . 1.0 109.964 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.4 p -88.04 -49.71 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.474 -0.785 . . . . 1.0 110.161 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' B' ' 71' ' ' LEU . . . -58.33 -49.27 77.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.806 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.499 ' CG2' ' HB1' ' C' ' 74' ' ' ALA . 10.4 pt -66.64 -14.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.123 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -93.98 -34.68 12.95 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.86 -42.93 65.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.902 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 79' ' ' VAL . 20.0 m -83.28 -27.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.678 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.85 -106.9 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.012 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.45 -54.76 2.47 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.795 0.294 . . . . 1.0 111.795 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' H ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER 64.84 138.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.846 0.355 . . . . 1.0 110.049 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -96.44 -37.04 4.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 60.2 p 53.86 84.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 1.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -52.89 164.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -83.54 -14.99 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.729 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.29 -10.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.911 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.76 102.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.1 tp -174.81 -49.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.693 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.62 30.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.183 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.63 170.09 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' SD ' ' A' ' 96' ' ' MET . 35.3 ptt85 -86.46 -23.28 26.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.984 0.421 . . . . 1.0 110.179 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.5 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.29 -28.18 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.921 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.87 -40.56 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 1.0 110.649 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' A' ' 96' ' ' MET . 1.1 mpt? -70.21 -44.33 68.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -64.61 -34.33 89.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.2 p -49.86 -32.3 14.07 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.933 0.397 . . . . 1.0 111.208 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.413 ' CB ' ' SD ' ' B' ' 66' ' ' MET . . . -95.03 -52.39 4.24 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -58.14 -24.17 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.328 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.8 p -68.44 -60.21 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.555 -0.458 . . . . 1.0 110.138 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' A' ' 101' ' ' VAL . 12.7 mt -52.21 -44.75 64.93 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.704 -0.798 . . . . 1.0 109.516 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 106' ' ' ILE . 31.5 mt -74.45 -24.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -41.82 -49.86 4.4 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.847 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.9 pt -62.64 -38.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 103' ' ' ILE . 22.4 mm -72.51 -30.59 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 120.589 -0.444 . . . . 1.0 110.913 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 109' ' ' VAL . 92.7 t -65.36 -77.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.067 0.461 . . . . 1.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.41 -24.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.468 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' VAL . 91.2 t -87.28 -84.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 1.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.43 ' H ' HG23 ' A' ' 110' ' ' ILE . 1.7 pp -47.46 -25.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.099 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.6 m -59.31 -52.81 64.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.888 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.89 -30.97 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.106 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.75 -59.07 5.72 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.258 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 115' ' ' LEU . 14.7 tt -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.952 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.453 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.7 tp -57.15 -49.99 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.488 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 -47.16 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.196 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.66 -20.53 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.75 -24.69 66.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.735 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -15.5 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.012 179.715 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' B' ' 30' ' ' ALA . 38.6 m0 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.785 0.326 . . . . 1.0 110.696 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.718 ' N ' HD12 ' B' ' 26' ' ' ILE . 1.9 mp -80.21 -28.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.185 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -108.24 41.54 1.54 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.206 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.63 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.857 0.361 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 4.45 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.192 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 25' ' ' TRP . . . -36.4 -34.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 1.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 52.0 p90 -94.36 -41.41 9.43 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.121 0.486 . . . . 1.0 110.574 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.569 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 57.8 ttt-85 -64.71 -26.48 68.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.059 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.01 -61.41 2.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.698 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.2 -30.28 49.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.441 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.637 ' O ' HG22 ' B' ' 38' ' ' VAL . . . -89.64 -59.18 1.55 Allowed Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.037 -0.602 . . . . 1.0 112.052 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.487 HG12 ' O ' ' B' ' 32' ' ' ARG . 5.4 p -47.0 -33.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 122.199 -0.589 . . . . 1.0 110.516 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.58 -58.95 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.637 HG22 ' O ' ' B' ' 35' ' ' GLY . 1.4 m -38.82 -20.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.926 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.67 -54.27 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 37' ' ' ALA . 20.2 mt -58.08 -34.8 70.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.135 -0.939 . . . . 1.0 109.998 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.69 -25.57 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 1.0 111.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 38' ' ' VAL . 33.3 t -85.83 -44.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 111.678 0.251 . . . . 1.0 111.678 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' B' ' 44' ' ' ILE . 15.7 m -57.8 -46.3 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.758 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.596 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.1 tp -73.94 -48.03 40.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.58 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.596 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -52.39 -34.22 46.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.318 . . . . 1.0 110.382 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.5 t -62.28 -44.65 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.836 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' B' ' 47' ' ' TRP . 6.6 m0 -73.67 -42.93 60.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' B' ' 48' ' ' LEU . 3.8 mm? -84.73 171.51 12.27 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.64 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 51' ' ' ASP . 9.2 t -146.88 159.97 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 30.3 t0 -153.32 -139.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.484 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -60.18 -176.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.595 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -155.4 19.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.196 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -28.7 0.28 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.034 0.445 . . . . 1.0 110.183 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' B' ' 55' ' ' ARG . 5.0 mmp_? -59.9 -40.64 89.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.576 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' B' ' 53' ' ' ILE . 54.6 t -45.86 -31.85 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.226 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 57' ' ' LEU . 1.0 OUTLIER -60.82 -50.95 71.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 109.874 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -55.43 -49.02 73.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.912 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.87 -55.48 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.32 -36.39 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.98 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.44 -59.92 4.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 -27.46 41.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.128 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ttp -58.69 -40.37 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.02 -34.76 63.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.478 HG22 HG21 ' A' ' 38' ' ' VAL . 12.0 t -61.44 -32.09 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.0 109.987 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 44.2 mmm -54.47 -48.68 71.51 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.36 -27.91 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.325 -0.55 . . . . 1.0 109.774 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.64 -27.21 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.863 0.319 . . . . 1.0 111.863 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.23 -52.77 3.56 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.713 0.292 . . . . 1.0 111.332 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' MET . 35.7 mm -63.75 -58.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.5 -0.555 . . . . 1.0 109.5 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 74' ' ' ALA . 2.6 tp -52.51 -35.75 53.78 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.287 -0.565 . . . . 1.0 109.69 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.4 -9.79 59.06 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 121.183 0.516 . . . . 1.0 110.002 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 77' ' ' ALA . 1.4 p -88.06 -49.63 6.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.22 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' C' ' 71' ' ' LEU . . . -58.29 -49.45 77.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.752 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.497 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 10.6 pt -66.53 -14.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.142 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.01 -34.7 12.93 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.57 -50.0 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.83 -42.96 65.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.964 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 79' ' ' VAL . 19.7 m -83.35 -26.9 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.683 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.86 -106.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.44 -54.8 2.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.405 HD11 HD12 ' C' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.38 -37.2 4.89 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p 53.89 84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 1.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.83 164.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.04 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -83.64 -14.91 50.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.652 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -55.23 -10.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.957 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.72 102.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.193 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.0 tp -174.7 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.61 30.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.171 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.6 170.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.473 ' O ' ' SD ' ' B' ' 96' ' ' MET . 35.2 ptt85 -86.53 -23.12 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.015 0.436 . . . . 1.0 110.192 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.45 72.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.482 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -66.28 -28.21 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.93 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.81 -40.59 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 1.0 110.747 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.1 mpt? -70.18 -44.37 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 1.0 109.982 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.515 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -64.64 -34.28 89.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.3 p -49.92 -32.25 14.26 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.898 0.38 . . . . 1.0 111.176 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ALA . . . . . 0.418 ' CB ' ' SD ' ' C' ' 66' ' ' MET . . . -94.99 -52.38 4.26 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -58.28 -24.03 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.31 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.705 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.8 p -68.49 -60.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.188 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.705 ' N ' HG13 ' B' ' 101' ' ' VAL . 13.7 mt -52.11 -44.92 64.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.76 -0.776 . . . . 1.0 109.405 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 106' ' ' ILE . 31.4 mt -74.47 -24.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.158 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -41.83 -49.88 4.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.816 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.462 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -62.59 -38.1 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 103' ' ' ILE . 22.4 mm -72.42 -30.67 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.926 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 93.4 t -65.36 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.994 0.426 . . . . 1.0 110.492 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.43 -24.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 91.9 t -87.24 -84.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 1.0 110.744 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.44 -25.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.041 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 59.9 m -59.28 -52.82 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.864 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.88 -30.87 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.158 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.8 -59.06 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.3 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.443 HG23 ' N ' ' B' ' 115' ' ' LEU . 14.7 tt -64.67 -40.26 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.987 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 114' ' ' ILE . 9.1 tp -57.39 -49.84 74.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.378 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.57 -47.17 56.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.081 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.68 -20.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 1.0 110.682 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.71 -24.66 66.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -15.49 53.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.949 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 92.4 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.955 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' C' ' 30' ' ' ALA . 38.6 m0 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.729 0.299 . . . . 1.0 110.685 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.716 HD12 ' N ' ' C' ' 26' ' ' ILE . 1.9 mp -80.18 -28.96 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.13 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -108.4 41.58 1.54 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.138 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.62 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.075 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.81 4.44 1.48 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.256 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' C' ' 25' ' ' TRP . . . -36.36 -34.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 1.0 111.607 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 52.1 p90 -94.38 -41.39 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.0 110.602 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.572 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 57.9 ttt-85 -64.78 -26.53 68.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.993 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.97 -61.33 2.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.725 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.25 -30.25 49.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.508 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.641 ' O ' HG22 ' C' ' 38' ' ' VAL . . . -89.7 -59.12 1.54 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.064 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.477 HG12 ' O ' ' C' ' 32' ' ' ARG . 5.4 p -46.97 -33.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.216 -0.579 . . . . 1.0 110.571 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.55 -58.9 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.039 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.641 HG22 ' O ' ' C' ' 35' ' ' GLY . 1.4 m -38.91 -20.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.979 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.59 -54.33 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' C' ' 37' ' ' ALA . 20.3 mt -58.11 -34.77 70.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.098 -0.956 . . . . 1.0 109.945 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.53 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.765 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 38' ' ' VAL . 33.1 t -85.82 -44.23 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.65 0.241 . . . . 1.0 111.65 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.457 HG23 ' N ' ' C' ' 44' ' ' ILE . 15.7 m -57.73 -46.27 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.794 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.593 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.1 tp -73.96 -48.11 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.47 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.593 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -52.29 -34.33 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 1.0 110.397 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.26 -44.72 95.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.852 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' TRP . . . . . 0.537 ' CD1' ' N ' ' C' ' 47' ' ' TRP . 6.4 m0 -73.6 -42.84 61.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.604 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.543 HD22 ' N ' ' C' ' 48' ' ' LEU . 3.8 mm? -84.76 171.48 12.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.76 0.314 . . . . 1.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.58 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' VAL . . . . . 0.414 HG12 ' N ' ' C' ' 51' ' ' ASP . 9.3 t -146.85 159.99 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 30.6 t0 -153.33 -139.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.584 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -60.14 -176.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.2 OUTLIER -155.36 19.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.167 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -28.58 0.3 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.119 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.427 ' N ' ' HE ' ' C' ' 55' ' ' ARG . 5.0 mmp_? -59.91 -40.53 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.634 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 53' ' ' ILE . 54.7 t -45.98 -31.88 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.246 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.574 HD13 ' O ' ' C' ' 57' ' ' LEU . 1.1 tm? -60.69 -51.02 71.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 1.0 109.896 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 58' ' ' LEU . 0.2 OUTLIER -55.36 -49.05 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.953 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.91 -55.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.942 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 28.3 t -45.29 -36.39 4.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.995 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.61 -59.74 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.49 -27.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.109 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 27.4 ttp -58.69 -40.42 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.89 -34.73 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.494 HG22 HG21 ' B' ' 38' ' ' VAL . 11.8 t -61.69 -31.98 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.019 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.512 ' O ' ' N ' ' C' ' 70' ' ' ILE . 44.3 mmm -54.47 -48.69 71.48 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.35 -27.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.365 -0.534 . . . . 1.0 109.782 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.79 -27.09 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.792 0.294 . . . . 1.0 111.792 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -98.2 -52.85 3.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.726 0.298 . . . . 1.0 111.303 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' C' ' 66' ' ' MET . 35.9 mm -63.74 -58.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' B' ' 74' ' ' ALA . 2.6 tp -52.43 -35.73 52.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.151 -0.619 . . . . 1.0 109.757 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.36 -9.86 59.14 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.12 0.486 . . . . 1.0 110.008 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.448 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 p -88.03 -49.64 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.196 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -58.33 -49.39 77.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.817 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.503 ' CG2' ' HB1' ' B' ' 74' ' ' ALA . 10.5 pt -66.68 -14.27 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.08 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.05 -34.58 12.95 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.73 -50.0 72.81 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.428 -0.805 . . . . 1.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.8 -43.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.856 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.33 -26.99 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.76 -106.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -104.41 -54.81 2.46 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.808 0.299 . . . . 1.0 111.808 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.404 HD11 HD12 ' A' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.894 0.378 . . . . 1.0 110.056 -178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.36 -37.03 4.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p 53.86 84.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.729 0.299 . . . . 1.0 110.521 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.85 164.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.046 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -83.65 -14.86 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.685 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.34 -10.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.947 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.78 102.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.121 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.1 tp -174.74 -48.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.78 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.67 30.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.184 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.66 170.13 0.05 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.459 ' O ' ' SD ' ' C' ' 96' ' ' MET . 35.3 ptt85 -86.52 -23.2 25.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 110.172 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.32 72.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.467 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -66.33 -28.26 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.78 -40.55 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 1.0 110.713 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.1 mpt? -70.3 -44.38 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.525 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -64.57 -34.3 89.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.1 p -49.9 -32.28 14.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 1.0 111.22 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 66' ' ' MET . . . -94.98 -52.32 4.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -58.28 -24.14 58.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.256 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.9 p -68.44 -60.18 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.165 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' C' ' 101' ' ' VAL . 12.6 mt -52.17 -44.8 64.81 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.685 -0.806 . . . . 1.0 109.464 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' C' ' 106' ' ' ILE . 31.6 mt -74.44 -24.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.167 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -41.73 -49.93 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.854 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.458 ' O ' HG23 ' C' ' 109' ' ' VAL . 2.9 pt -62.62 -38.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' C' ' 103' ' ' ILE . 22.4 mm -72.55 -30.55 34.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.514 -0.474 . . . . 1.0 110.909 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 93.5 t -65.37 -77.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.03 0.443 . . . . 1.0 110.466 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.54 -23.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.488 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 91.3 t -87.27 -84.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.54 -25.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.12 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -59.33 -52.89 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.831 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.74 -31.01 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.144 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.8 -58.98 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.461 -0.496 . . . . 1.0 111.24 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.459 HG23 ' N ' ' C' ' 115' ' ' LEU . 14.8 tt -64.78 -40.27 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.859 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.459 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.8 tp -57.17 -50.0 74.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.427 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 -47.16 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.099 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.74 -20.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.979 0.419 . . . . 1.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 20.0 t -66.67 -24.7 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.8 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.1 OUTLIER -62.65 -15.55 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.949 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.4 t80 43.67 -88.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.951 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 m0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 1.0 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.23 -13.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.85 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.883 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 30' ' ' ALA . 88.7 mt-10 -139.0 -41.4 0.47 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -62.29 1.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 1.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -44.0 -21.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.705 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' ' SD ' ' C' ' 96' ' ' MET . 53.4 m-85 -72.2 -49.95 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.362 0.601 . . . . 1.0 109.518 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.38 -32.12 73.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.14 -65.46 0.66 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.4 mt-10 -40.7 -32.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.895 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.67 7.73 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -49.5 -37.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -8.92 27.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.219 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.612 HG22 HD22 ' B' ' 64' ' ' LEU . 59.6 t -94.38 -23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.635 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.4 mp -90.2 -62.51 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.064 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.2 mp -49.24 -41.93 39.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.85 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.72 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.583 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' VAL . 89.6 t -76.38 -38.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.0 t -47.03 -43.3 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.484 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.97 -45.42 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.151 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -64.79 -54.12 36.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -62.08 -56.61 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.767 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.79 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' ALA . 29.4 mt -102.07 -146.48 0.36 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.393 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.44 -150.17 0.46 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 50' ' ' VAL . 10.2 m -97.98 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.452 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' H ' HD11 ' B' ' 53' ' ' ILE . 17.4 t70 -161.75 -147.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -83.23 -174.57 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.233 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' C' ' 51' ' ' ASP . 36.6 pt -64.51 -28.76 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.74 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ILE . 67.8 p -35.52 -28.63 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.932 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.608 HH21 HD12 ' B' ' 57' ' ' LEU . 27.5 ttp85 -79.47 -49.26 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.361 0.6 . . . . 1.0 110.162 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ILE . 2.5 t -72.02 -36.01 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.934 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.597 HD12 HH21 ' C' ' 55' ' ' ARG . 5.2 tp -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.7 tp -48.2 -44.78 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.837 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' B' ' 64' ' ' LEU . 49.3 mt -76.94 -47.18 28.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.341 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 61' ' ' SER . 6.1 p -46.8 -55.71 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.714 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 60' ' ' SER . 38.8 p -63.53 -56.5 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.407 . . . . 1.0 110.362 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' LEU . 54.7 t -50.73 -37.62 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.158 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 15.7 tmm? -68.79 -44.52 73.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.765 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 HG22 ' C' ' 38' ' ' VAL . 9.5 mt -55.91 -51.86 66.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.724 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 p -63.09 -30.91 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.33 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.496 ' HB2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.8 -39.5 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.079 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.48 -39.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -87.58 -33.61 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.971 -0.292 . . . . 1.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.5 mt-10 -88.63 -81.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.6 -0.44 . . . . 1.0 110.457 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 66' ' ' MET . 13.6 mt -38.6 -51.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.102 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.2 tp -50.3 -37.11 34.8 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 119.39 -0.924 . . . . 1.0 109.792 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 69' ' ' GLU . 24.5 t30 -79.58 -13.97 59.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.181 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.7 t -90.09 -56.11 3.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.758 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 71' ' ' LEU . 7.1 tt -50.95 -37.0 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.704 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -86.17 -23.99 26.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.364 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.07 -53.13 61.74 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.423 -0.511 . . . . 1.0 109.708 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.01 -33.3 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.54 -24.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.826 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -80.47 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.496 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 82' ' ' ILE . 76.0 mtt85 -104.02 -58.96 1.8 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.405 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER 164.85 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.749 0.656 . . . . 1.0 109.575 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.497 ' H ' ' CG1' ' A' ' 82' ' ' ILE . . . 110.84 6.35 26.56 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 114.937 -1.029 . . . . 1.0 110.588 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -152.61 91.81 1.61 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' TYR . 10.6 pt-20 -92.81 -43.91 8.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.869 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 55.9 m-85 -86.1 -25.32 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.814 0.34 . . . . 1.0 111.296 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.527 ' CG ' ' OG ' ' A' ' 84' ' ' SER . 55.2 m80 -55.87 -62.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.527 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.71 92.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.681 0.277 . . . . 1.0 111.006 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -172.0 -53.46 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.688 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 91' ' ' GLY . 13.9 t -69.31 23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.44 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.87 171.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -89.63 -19.69 24.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.6 -51.59 58.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.778 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.92 69.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.306 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' OG ' ' A' ' 98' ' ' SER . 50.9 m-20 -47.36 -35.09 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.554 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' B' ' 31' ' ' PHE . 23.8 mtt -78.85 -46.67 18.14 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.442 -0.503 . . . . 1.0 110.181 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.07 -35.71 92.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.325 -1.11 . . . . 1.0 110.325 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 23.4 p -54.52 -26.87 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 1.0 111.281 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.97 -51.13 5.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -21.95 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.983 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.5 t -67.43 -65.97 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.798 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.24 -46.42 72.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.665 0.745 . . . . 1.0 109.718 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.4 mp -67.44 -20.23 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.233 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -45.41 -49.66 13.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.762 0.315 . . . . 1.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 1.0 110.004 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.31 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.024 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 109' ' ' VAL . 87.5 t -67.47 -73.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.62 -24.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.412 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 107' ' ' VAL . 86.0 t -92.98 -87.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 1.0 110.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.11 -35.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.307 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 12.0 m -59.68 -53.52 57.01 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.485 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 112' ' ' TRP . 15.2 t-105 -57.55 -28.21 63.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.79 -57.53 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' H ' ' A' ' 114' ' ' ILE . 1.9 tp -65.78 -46.74 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.443 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.88 -36.76 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.03 -49.08 39.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.744 . . . . 1.0 110.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -63.89 -34.29 77.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.413 ' OG ' HD12 ' B' ' 48' ' ' LEU . 6.8 t -59.22 -37.42 77.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -44.26 90.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.643 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 42.1 m0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.812 0.339 . . . . 1.0 110.823 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.36 -13.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.83 -63.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.921 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 88.5 mt-10 -139.0 -41.58 0.47 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.029 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -62.42 1.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 1.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -44.02 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.65 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 53.7 m-85 -72.14 -49.96 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.325 0.583 . . . . 1.0 109.474 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.43 -32.01 73.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.116 -0.947 . . . . 1.0 109.811 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.2 -65.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 38' ' ' VAL . 77.9 mt-10 -40.55 -32.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.021 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -55.59 7.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.49 -37.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.104 -0.332 . . . . 1.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -9.02 27.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.615 HG22 HD22 ' C' ' 64' ' ' LEU . 59.5 t -94.41 -22.84 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.731 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.577 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.4 mp -90.24 -62.54 1.44 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.068 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.542 HD12 ' N ' ' B' ' 40' ' ' LEU . 9.2 mp -49.26 -41.94 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.84 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.7 76.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.612 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 38' ' ' VAL . 90.5 t -76.45 -38.55 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.8 t -46.98 -43.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.508 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.93 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.979 0.419 . . . . 1.0 110.205 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -64.71 -54.27 34.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.94 -56.69 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.781 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.71 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' B' ' 45' ' ' ALA . 29.6 mt -102.16 -146.56 0.36 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.329 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.34 -150.22 0.46 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.91 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.443 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' C' ' 53' ' ' ILE . 17.5 t70 -161.8 -147.27 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -83.16 -174.62 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.304 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.566 HD11 ' H ' ' A' ' 51' ' ' ASP . 36.9 pt -64.38 -28.83 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.776 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.418 ' C ' ' O ' ' B' ' 53' ' ' ILE . 69.6 p -35.47 -28.66 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.942 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.614 HH21 HD12 ' C' ' 57' ' ' LEU . 27.7 ttp85 -79.61 -49.13 12.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.095 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 53' ' ' ILE . 2.5 t -72.03 -36.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.902 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.608 HD12 HH21 ' A' ' 55' ' ' ARG . 5.1 tp -47.99 -47.69 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 62' ' ' VAL . 6.6 tp -48.21 -44.91 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.804 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' C' ' 64' ' ' LEU . 49.0 mt -76.85 -47.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' B' ' 61' ' ' SER . 6.0 p -46.84 -55.71 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.715 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' B' ' 60' ' ' SER . 39.0 p -63.53 -56.47 15.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 1.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 58' ' ' LEU . 54.6 t -50.7 -37.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' B' ' 63' ' ' MET . 15.7 tmm? -68.81 -44.45 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.769 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.612 HD22 HG22 ' A' ' 38' ' ' VAL . 9.4 mt -55.95 -51.94 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.682 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' B' ' 69' ' ' GLU . 6.4 p -63.03 -30.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.294 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.48 ' HB2' HD12 ' B' ' 70' ' ' ILE . 0.0 OUTLIER -62.74 -39.58 94.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.015 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.5 -39.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.65 -33.52 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.643 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' ASN . 31.6 mt-10 -88.79 -81.35 0.27 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 73' ' ' SER . 13.6 mt -38.55 -51.45 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.058 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 75' ' ' ILE . 6.1 tp -50.18 -37.23 33.83 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 119.423 -0.911 . . . . 1.0 109.775 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.7 t-20 -79.57 -13.97 59.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.035 0.445 . . . . 1.0 110.21 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 70' ' ' ILE . 2.7 t -90.02 -56.05 3.38 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.742 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.411 HG22 ' O ' ' B' ' 71' ' ' LEU . 7.0 tt -51.0 -36.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.4 -0.818 . . . . 1.0 109.694 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.32 -23.9 26.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.368 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.08 -53.24 60.53 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.95 -33.33 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.5 -24.26 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.825 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -80.47 -110.04 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.412 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.893 ' O ' HG23 ' B' ' 82' ' ' ILE . 75.9 mtt85 -104.0 -58.97 1.8 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.359 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.893 HG23 ' O ' ' B' ' 81' ' ' ARG . 0.6 OUTLIER 164.8 -90.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 121.412 0.625 . . . . 1.0 109.589 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.484 ' H ' ' CG1' ' B' ' 82' ' ' ILE . . . 110.83 6.32 26.6 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.657 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.529 ' OG ' ' CG ' ' B' ' 87' ' ' HIS . 0.2 OUTLIER -152.51 91.72 1.61 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.711 -0.477 . . . . 1.0 109.711 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' B' ' 86' ' ' TYR . 10.6 pt-20 -92.8 -43.79 8.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.909 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.436 ' N ' ' CG ' ' B' ' 85' ' ' GLU . 56.0 m-85 -86.12 -25.44 25.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.777 0.323 . . . . 1.0 111.256 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.529 ' CG ' ' OG ' ' B' ' 84' ' ' SER . 55.8 m80 -55.75 -62.22 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.486 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -39.75 92.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.762 0.315 . . . . 1.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.2 OUTLIER -171.98 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.745 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 14.0 t -69.3 23.35 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.404 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.85 171.62 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.65 -19.67 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.069 0.462 . . . . 1.0 109.878 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.62 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.868 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.93 69.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.212 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.439 ' O ' ' OG ' ' B' ' 98' ' ' SER . 51.3 m-20 -47.37 -35.1 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.527 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.583 ' SD ' ' CD1' ' C' ' 31' ' ' PHE . 24.3 mtt -78.79 -46.75 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.474 -0.491 . . . . 1.0 110.22 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.531 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.03 -35.71 92.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.273 -1.131 . . . . 1.0 110.273 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 23.1 p -54.64 -26.9 35.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.52 0.2 . . . . 1.0 111.152 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.95 -51.04 5.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.643 -0.503 . . . . 1.0 109.643 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.0 65.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.5 t -67.41 -65.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 120.984 -0.286 . . . . 1.0 110.75 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.2 -46.48 72.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.674 0.749 . . . . 1.0 109.705 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.495 HD12 ' N ' ' B' ' 103' ' ' ILE . 1.4 mp -67.47 -20.28 26.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.155 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -45.42 -49.61 13.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.031 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.9 -42.43 94.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.994 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.2 -30.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.029 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 109' ' ' VAL . 87.3 t -67.4 -72.91 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.798 -0.445 . . . . 1.0 109.798 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.72 -24.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.597 -0.729 . . . . 1.0 111.477 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 107' ' ' VAL . 86.1 t -92.95 -87.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 1.0 110.525 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 mt -45.2 -35.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.288 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 11.8 m -59.65 -53.6 56.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' TRP . . . . . 0.436 ' O ' ' CD1' ' B' ' 112' ' ' TRP . 15.3 t-105 -57.52 -28.17 63.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.76 -57.62 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.075 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.69 -46.74 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.462 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.93 -36.78 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.864 -0.791 . . . . 1.0 108.864 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.09 -48.98 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.359 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -64.0 -34.17 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' SER . . . . . 0.411 ' OG ' HD12 ' C' ' 48' ' ' LEU . 6.9 t -59.26 -37.51 77.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.642 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.639 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.579 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 m0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.754 0.311 . . . . 1.0 110.719 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.33 -13.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.97 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.917 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' C' ' 30' ' ' ALA . 88.4 mt-10 -139.03 -41.39 0.47 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.873 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -62.31 1.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 1.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -44.0 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.636 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.583 ' CD1' ' SD ' ' B' ' 96' ' ' MET . 53.2 m-85 -72.22 -50.01 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.372 0.606 . . . . 1.0 109.473 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.44 -32.01 73.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.062 -0.972 . . . . 1.0 109.827 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.19 -65.35 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 77.8 mt-10 -40.79 -32.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.886 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.02 -55.67 7.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -49.4 -37.44 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.095 -0.335 . . . . 1.0 110.095 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.14 -8.99 27.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.205 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.611 HG22 HD22 ' A' ' 64' ' ' LEU . 59.2 t -94.39 -22.92 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.579 ' N ' HD12 ' C' ' 39' ' ' LEU . 9.4 mp -90.14 -62.76 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.073 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.524 ' N ' HD12 ' C' ' 40' ' ' LEU . 9.2 mp -48.94 -42.1 36.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.854 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.62 76.61 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.617 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 38' ' ' VAL . 91.0 t -76.4 -38.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.06 -43.2 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.448 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.92 -45.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 1.0 110.189 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -64.66 -54.29 34.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.02 -56.68 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.743 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -54.65 -53.7 51.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.506 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.411 HD12 ' OG ' ' B' ' 118' ' ' SER . 29.5 mt -102.27 -146.49 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.5 -150.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.526 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 m -97.91 -179.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' A' ' 53' ' ' ILE . 17.3 t70 -161.88 -147.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -83.23 -174.57 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.311 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' B' ' 51' ' ' ASP . 36.4 pt -64.44 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.685 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' C' ' 53' ' ' ILE . 67.8 p -35.43 -28.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.9 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.597 HH21 HD12 ' A' ' 57' ' ' LEU . 27.7 ttp85 -79.46 -49.27 12.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.3 0.571 . . . . 1.0 110.176 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' C' ' 53' ' ' ILE . 2.5 t -71.93 -36.11 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.963 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.614 HD12 HH21 ' B' ' 55' ' ' ARG . 5.1 tp -47.89 -47.77 31.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.924 -0.399 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.487 ' O ' HG23 ' C' ' 62' ' ' VAL . 6.6 tp -48.05 -45.09 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.774 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 64' ' ' LEU . 48.8 mt -76.75 -47.31 28.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.407 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' C' ' 61' ' ' SER . 5.9 p -46.69 -55.69 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.745 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 61' ' ' SER . . . . . 0.444 ' N ' ' OG ' ' C' ' 60' ' ' SER . 40.1 p -63.59 -56.4 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 1.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.487 HG23 ' O ' ' C' ' 58' ' ' LEU . 54.7 t -50.71 -37.77 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.104 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' C' ' 63' ' ' MET . 15.7 tmm? -68.66 -44.57 73.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.615 HD22 HG22 ' B' ' 38' ' ' VAL . 9.4 mt -55.83 -51.94 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.74 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.465 ' CG2' ' OE2' ' C' ' 69' ' ' GLU . 6.4 p -63.05 -30.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.39 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.488 ' HB2' HD12 ' C' ' 70' ' ' ILE . 0.0 OUTLIER -62.78 -39.5 94.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.116 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.38 -39.76 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 37.3 t -87.6 -33.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.673 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' C' ' 72' ' ' ASN . 31.5 mt-10 -88.72 -81.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.468 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' C' ' 66' ' ' MET . 13.5 mt -38.57 -51.42 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.992 -0.283 . . . . 1.0 111.08 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.418 ' O ' HG22 ' C' ' 75' ' ' ILE . 6.2 tp -50.3 -37.05 34.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 119.421 -0.912 . . . . 1.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' C' ' 69' ' ' GLU . 24.5 t30 -79.66 -13.99 59.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.145 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.461 ' N ' ' O ' ' C' ' 70' ' ' ILE . 2.7 t -90.0 -56.13 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.553 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -51.72 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.418 HG22 ' O ' ' C' ' 71' ' ' LEU . 7.1 tt -50.87 -37.01 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.741 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.29 -23.84 26.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.402 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.1 -53.18 61.19 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.452 -0.499 . . . . 1.0 109.727 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.02 -33.25 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.894 -0.78 . . . . 1.0 108.894 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -24.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.834 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.48 -110.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.441 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.892 ' O ' HG23 ' C' ' 82' ' ' ILE . 75.9 mtt85 -103.91 -59.0 1.79 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.39 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.892 HG23 ' O ' ' C' ' 81' ' ' ARG . 0.6 OUTLIER 164.78 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.443 0.64 . . . . 1.0 109.627 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.487 ' H ' ' CG1' ' C' ' 82' ' ' ILE . . . 110.92 6.24 26.5 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.613 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.522 ' OG ' ' CG ' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -152.48 91.83 1.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' C' ' 86' ' ' TYR . 10.7 pt-20 -92.86 -43.87 8.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.904 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' C' ' 85' ' ' GLU . 56.0 m-85 -86.13 -25.3 25.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.78 0.324 . . . . 1.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.522 ' CG ' ' OG ' ' C' ' 84' ' ' SER . 55.3 m80 -55.85 -62.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.593 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.9 92.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 1.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.2 OUTLIER -171.97 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.783 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' C' ' 91' ' ' GLY . 14.0 t -69.38 23.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.404 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.82 171.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.669 -0.973 . . . . 1.0 110.669 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.59 -19.7 24.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.164 0.507 . . . . 1.0 109.935 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.54 59.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.838 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -67.96 -29.97 69.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.222 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' ASP . . . . . 0.427 ' O ' ' OG ' ' C' ' 98' ' ' SER . 51.2 m-20 -47.23 -35.18 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.601 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD1' ' A' ' 31' ' ' PHE . 24.1 mtt -78.72 -46.8 18.18 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.197 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.535 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.93 -35.84 92.52 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 1.0 110.335 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 98' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 23.4 p -54.49 -26.88 34.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.548 0.213 . . . . 1.0 111.223 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.08 -22.04 65.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.982 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.535 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.6 t -67.33 -65.91 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.791 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.28 -46.42 72.71 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.638 0.732 . . . . 1.0 109.73 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.487 ' O ' HG23 ' C' ' 107' ' ' VAL . 1.4 mp -67.52 -20.06 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.398 -0.819 . . . . 1.0 110.254 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -45.63 -49.58 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.886 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.92 -42.43 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.0 109.942 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.21 -30.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.995 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 109' ' ' VAL . 88.7 t -67.3 -73.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.53 -24.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.49 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' C' ' 107' ' ' VAL . 86.4 t -92.93 -87.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.818 0.342 . . . . 1.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.13 -35.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.119 -0.492 . . . . 1.0 111.309 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 12.0 m -59.63 -53.57 56.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.581 -0.447 . . . . 1.0 110.504 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 112' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' C' ' 112' ' ' TRP . 15.4 t-105 -57.52 -28.23 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.8 -57.61 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.025 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.422 ' H ' HG22 ' C' ' 114' ' ' ILE . 1.9 tp -65.72 -46.76 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.86 -36.79 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 24.3 tp -71.96 -49.13 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -63.91 -34.36 77.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.44 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 118' ' ' SER . . . . . 0.41 ' OG ' HD12 ' A' ' 48' ' ' LEU . 6.9 t -59.17 -37.49 77.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 1.0 110.674 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.4 OUTLIER -64.83 -44.34 90.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.651 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.47 -86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.878 0.37 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -57.89 -20.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.232 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -107.02 42.84 1.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 168.98 -72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.682 0.614 . . . . 1.0 109.591 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 4.74 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.01 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -38.96 -32.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.444 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 21.0 t80 -91.33 -46.09 8.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 1.0 110.77 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.64 -25.38 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.029 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.4 tt0 -59.86 -59.03 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.371 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -95.01 -48.05 2.53 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.3 t -56.28 -40.49 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 122.749 -0.265 . . . . 1.0 111.112 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.15 -71.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 1.0 110.513 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 p -39.97 -18.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.712 -0.676 . . . . 1.0 111.087 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -87.3 -55.95 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.643 -0.873 . . . . 1.0 108.643 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.8 tp -66.82 -34.9 78.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.623 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.28 63.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.982 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.3 t -89.25 -37.72 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.659 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.44 -47.88 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.79 -47.14 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -55.07 -36.59 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.6 m -62.68 -46.0 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.986 0.422 . . . . 1.0 110.01 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.68 -26.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.2 mt -139.68 -67.95 0.43 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ALA . 15.1 t0 64.9 87.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.959 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -153.22 14.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.458 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -49.9 152.94 1.43 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.27 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.13 -65.34 1.02 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.617 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.3 m -46.46 -45.69 18.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.9 -47.39 71.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.58 -45.13 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.396 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.03 -50.66 35.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.377 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD12 ' CG2' ' C' ' 107' ' ' VAL . 3.5 mm? -51.17 -51.47 53.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 15.1 mm -63.12 -56.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.206 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.9 -52.54 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -64.85 -62.96 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.23 -30.43 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.975 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.412 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 24.7 ttm -63.37 -34.41 77.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.383 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.04 -48.15 69.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.025 0.441 . . . . 1.0 109.835 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.28 -33.77 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.397 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' GLU . 26.8 mtt -61.65 -45.42 94.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mm -45.1 -24.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.274 -0.571 . . . . 1.0 110.056 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.91 -31.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 1.0 110.732 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 66' ' ' MET . 27.6 mt-10 -93.44 -55.34 3.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.526 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 73' ' ' SER . 49.1 mt -65.71 -58.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.518 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -52.02 -35.68 47.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.094 -0.642 . . . . 1.0 109.708 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t-20 -71.31 -13.83 62.01 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -90.64 -53.07 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.14 -0.936 . . . . 1.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.88 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.469 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.4 pp -52.72 -39.75 32.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.573 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 80' ' ' ASP . 18.5 tt0 -82.55 -24.51 33.98 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.313 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.75 -52.25 66.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 t -53.17 -32.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 t -85.83 -25.03 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.103 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.9 m-20 -77.84 -102.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.441 0.534 . . . . 1.0 112.441 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 82' ' ' ILE . 82.2 mtt-85 -101.55 -10.1 20.41 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.128 0.418 . . . . 1.0 112.128 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.7 tt 34.62 98.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.002 0.43 . . . . 1.0 111.493 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.61 69.34 0.39 Allowed Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -166.9 30.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 1.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.48 -68.96 0.74 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.787 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -47.68 -32.36 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.739 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.64 -10.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -132.0 94.12 3.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.3 tp -106.27 -23.35 12.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.511 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.7 p -70.68 39.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.764 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.12 167.6 0.06 OUTLIER Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 96' ' ' MET . 28.6 ptt-85 -86.12 -21.71 27.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.077 0.465 . . . . 1.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.86 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' GLY . 68.4 tttt -66.77 -32.66 74.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -41.48 -36.72 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.834 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 96' ' ' MET . 1.3 mpt? -73.53 -44.6 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.511 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.12 -37.3 93.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -50.12 -31.5 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.617 0.246 . . . . 1.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB2' ' OE2' ' B' ' 69' ' ' GLU . . . -94.76 -51.1 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.771 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -58.89 -24.35 62.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.789 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.5 p -73.12 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.227 0.455 . . . . 1.0 112.227 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.3 tp -59.15 -44.14 92.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 1.0 111.09 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.01 -19.26 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.906 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -57.4 -41.2 79.85 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.256 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 109' ' ' VAL . 25.0 mt -62.12 -46.84 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.577 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.2 mp -75.87 -30.03 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.85 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 109' ' ' VAL . 45.3 t -83.24 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.637 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' ALA . . . -27.69 -36.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.435 0.459 . . . . 1.0 112.005 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.868 HG23 ' H ' ' A' ' 110' ' ' ILE . 30.3 m -81.11 -66.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.795 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.868 ' H ' HG23 ' A' ' 109' ' ' VAL . 22.8 mt -51.35 -24.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 120.64 0.257 . . . . 1.0 110.321 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 115' ' ' LEU . 8.8 m -59.54 -53.85 53.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -68.29 -23.71 64.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.059 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.66 -58.31 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.219 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 114' ' ' ILE . 1.3 mp -67.18 -41.18 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 111' ' ' THR . 5.7 mp -56.36 -36.06 68.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 9.3 tp -71.68 -40.16 69.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.97 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -53.22 -20.7 4.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.03 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 120' ' ' PHE . 3.2 m -62.22 -28.07 69.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.445 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.03 -0.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.68 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 118' ' ' SER . 76.8 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.539 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' B' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.867 0.365 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.85 -20.82 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.24 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -107.01 42.9 1.22 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.361 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 168.97 -72.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.622 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.13 4.85 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.978 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.438 ' O ' ' OE2' ' B' ' 34' ' ' GLU . . . -38.95 -32.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 1.0 111.462 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' B' ' 31' ' ' PHE . 20.8 t80 -91.31 -46.16 8.2 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.42 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.033 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' B' ' 35' ' ' GLY . 55.4 tt0 -59.86 -58.99 6.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -41.29 -23.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -95.06 -48.06 2.51 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.39 -40.3 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.575 0.226 . . . . 1.0 111.136 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.17 -71.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 1.0 110.47 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 42' ' ' VAL . 4.4 p -39.8 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.175 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.0 tp -87.41 -55.8 3.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tp -66.82 -34.83 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.255 -0.884 . . . . 1.0 110.647 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.45 -24.24 62.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.956 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.2 t -89.23 -37.62 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.683 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -55.48 -47.85 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.78 -47.16 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.466 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 49' ' ' ASP . . . -55.12 -36.51 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 48' ' ' LEU . 68.6 m -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.941 0.4 . . . . 1.0 110.007 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -40.65 -26.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 46' ' ' CYS . 12.2 mt -139.69 -67.85 0.43 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 45' ' ' ALA . 14.9 t0 64.67 87.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.013 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -153.35 14.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -49.89 153.01 1.41 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.25 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.24 -65.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.385 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.64 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 54.7 m -46.4 -45.79 18.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.85 -47.37 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -45.07 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -48.97 -50.7 34.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.936 0.398 . . . . 1.0 110.397 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.521 HD12 ' CG2' ' A' ' 107' ' ' VAL . 3.5 mm? -51.11 -51.42 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 63' ' ' MET . 15.0 mm -63.21 -56.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.8 t -48.88 -52.56 23.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.74 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -65.06 -62.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.007 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.29 -30.34 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.915 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' B' ' 59' ' ' ILE . 24.7 ttm -63.55 -34.34 77.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.37 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.06 -48.12 69.23 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.25 -33.88 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.322 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.49 ' O ' ' N ' ' B' ' 69' ' ' GLU . 26.7 mtt -61.74 -45.35 94.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.8 mm -45.13 -24.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.923 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 12.0 t -90.92 -31.68 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.711 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 66' ' ' MET . 27.6 mt-10 -93.4 -55.22 3.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.567 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' B' ' 66' ' ' MET . 49.0 mt -65.88 -58.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.4 tp -52.19 -35.61 49.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.683 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' B' ' 72' ' ' ASN . 2.1 t-20 -71.33 -13.74 61.97 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.368 0.604 . . . . 1.0 109.496 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.467 ' O ' ' N ' ' B' ' 77' ' ' ALA . 3.5 t -90.76 -53.01 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.502 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.81 66.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.534 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.4 pp -52.83 -39.64 32.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.766 -0.774 . . . . 1.0 109.553 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 80' ' ' ASP . 18.3 tt0 -82.53 -24.56 34.01 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.315 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.21 66.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.401 HG23 ' H ' ' B' ' 78' ' ' VAL . 18.6 t -53.16 -32.23 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.681 -0.69 . . . . 1.0 109.299 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.87 -24.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.154 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 76' ' ' GLU . 64.3 m-20 -78.0 -101.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.41 0.522 . . . . 1.0 112.41 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 82' ' ' ILE . 82.4 mtt-85 -101.57 -10.09 20.4 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.5 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 121.102 0.477 . . . . 1.0 111.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.53 69.25 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -166.91 30.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 1.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -89.57 -68.93 0.75 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -47.61 -32.37 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.59 -10.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.734 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -132.04 94.22 3.43 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.497 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.1 tp -106.05 -23.79 12.54 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -70.41 39.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.27 167.69 0.07 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' B' ' 96' ' ' MET . 28.6 ptt-85 -86.29 -21.7 27.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.036 0.446 . . . . 1.0 109.875 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.41 -50.9 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.629 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 97' ' ' GLY . 68.5 tttt -66.73 -32.68 74.14 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.861 -0.335 . . . . 1.0 110.686 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -41.38 -36.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.932 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.3 mpt? -73.57 -44.58 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.806 -0.442 . . . . 1.0 109.806 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.13 -37.4 94.07 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 59.7 m -50.04 -31.41 12.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.64 0.257 . . . . 1.0 111.59 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ALA . . . . . 0.423 ' HB2' ' OE2' ' C' ' 69' ' ' GLU . . . -94.87 -51.14 4.82 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.787 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -59.04 -24.14 62.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.817 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.4 p -73.29 -60.24 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.995 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.9 pp -76.41 -19.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.0 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -57.31 -41.27 79.55 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.216 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 109' ' ' VAL . 24.4 mt -61.95 -47.12 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.582 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.515 HD12 ' H ' ' B' ' 106' ' ' ILE . 5.0 mp -75.64 -30.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.889 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 109' ' ' VAL . 44.9 t -83.18 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.649 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -27.75 -36.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.498 0.499 . . . . 1.0 111.973 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.847 HG23 ' H ' ' B' ' 110' ' ' ILE . 30.2 m -81.22 -66.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.847 ' H ' HG23 ' B' ' 109' ' ' VAL . 23.0 mt -51.38 -24.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 1.0 110.328 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.452 ' O ' HD13 ' B' ' 115' ' ' LEU . 8.5 m -59.5 -54.02 51.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.786 0.327 . . . . 1.0 110.73 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -68.29 -23.73 64.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.044 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.61 -58.26 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.241 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.3 mp -67.28 -41.18 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.764 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 111' ' ' THR . 5.7 mp -56.41 -35.99 68.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 119' ' ' HIS . 9.4 tp -71.76 -40.09 69.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.909 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -53.29 -20.59 4.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.073 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 120' ' ' PHE . 3.2 m -62.36 -28.01 69.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.443 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -63.91 -0.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.771 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' B' ' 118' ' ' SER . 76.8 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.912 0.387 . . . . 1.0 110.579 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.02 -20.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.254 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -107.0 42.81 1.24 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 169.05 -72.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.596 0.56 . . . . 1.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.14 4.77 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.992 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.436 ' O ' ' OE2' ' C' ' 34' ' ' GLU . . . -38.84 -32.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 111.471 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' C' ' 31' ' ' PHE . 20.6 t80 -91.4 -46.06 8.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.929 0.395 . . . . 1.0 110.725 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.44 67.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.1 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' C' ' 35' ' ' GLY . 55.4 tt0 -59.9 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.835 -0.802 . . . . 1.0 108.835 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.407 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.96 -48.1 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 76.0 t -56.23 -40.41 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 122.795 -0.238 . . . . 1.0 111.155 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.19 -71.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 1.0 110.525 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.498 ' O ' HG23 ' C' ' 42' ' ' VAL . 4.4 p -39.84 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.118 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.7 tp -87.23 -56.0 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.627 -0.879 . . . . 1.0 108.627 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.2 tp -66.94 -34.74 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.64 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -24.23 62.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.943 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.1 t -89.26 -37.75 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.36 -47.87 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.79 -47.14 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' C' ' 49' ' ' ASP . . . -55.14 -36.47 65.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.653 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' C' ' 48' ' ' LEU . 68.5 m -62.73 -45.94 90.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 1.0 109.989 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.72 -26.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' C' ' 46' ' ' CYS . 12.2 mt -139.64 -67.92 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' C' ' 45' ' ' ALA . 14.9 t0 64.86 87.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.931 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -153.22 14.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.491 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -49.75 152.93 1.35 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.31 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.14 -65.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.41 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.83 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.71 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 55.1 m -46.47 -45.72 18.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.452 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.84 -47.56 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.45 -45.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.04 -50.64 35.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.884 0.373 . . . . 1.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.514 HD12 ' CG2' ' B' ' 107' ' ' VAL . 3.5 mm? -51.25 -51.32 55.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' C' ' 63' ' ' MET . 15.0 mm -63.22 -56.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.216 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.86 -52.65 23.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -64.92 -62.84 1.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.29 -30.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.96 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' C' ' 59' ' ' ILE . 24.6 ttm -63.64 -34.24 77.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.34 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -48.18 69.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.031 0.444 . . . . 1.0 109.864 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.31 -33.88 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.378 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.494 ' O ' ' N ' ' C' ' 69' ' ' GLU . 26.9 mtt -61.61 -45.35 94.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.14 -24.55 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.393 -0.523 . . . . 1.0 109.95 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.94 -31.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 66' ' ' MET . 27.6 mt-10 -93.48 -55.32 3.33 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.5 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' C' ' 73' ' ' SER . 49.4 mt -65.79 -58.17 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.51 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.5 tp -52.05 -35.73 48.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.733 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' C' ' 72' ' ' ASN . 2.1 t-20 -71.25 -13.83 62.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.316 0.579 . . . . 1.0 109.453 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.6 t -90.64 -53.19 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.472 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.93 66.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.514 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.4 pp -52.71 -39.57 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.619 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' C' ' 80' ' ' ASP . 18.6 tt0 -82.65 -24.57 33.71 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.854 -0.338 . . . . 1.0 110.271 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.8 -52.16 66.61 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 t -53.2 -32.31 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.245 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.86 -24.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.551 -0.75 . . . . 1.0 111.118 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' C' ' 76' ' ' GLU . 64.1 m-20 -77.85 -101.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.437 0.532 . . . . 1.0 112.437 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' C' ' 82' ' ' ILE . 82.3 mtt-85 -101.57 -10.12 20.38 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 34.53 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.064 0.459 . . . . 1.0 111.553 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.56 69.27 0.39 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 m -166.87 30.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 1.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -89.45 -68.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.76 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -47.68 -32.41 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.706 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -56.55 -10.32 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -132.0 94.2 3.44 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.522 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.1 tp -105.95 -23.86 12.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 21.4 p -70.49 39.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 56.01 167.57 0.06 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.686 -0.966 . . . . 1.0 110.686 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' C' ' 96' ' ' MET . 28.6 ptt-85 -86.09 -21.72 27.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.987 0.423 . . . . 1.0 109.929 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.82 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 97' ' ' GLY . 68.4 tttt -66.82 -32.62 74.02 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.725 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -41.41 -36.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.873 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.3 mpt? -73.61 -44.55 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.504 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.2 -37.31 93.89 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 59.3 m -50.1 -31.4 13.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 1.0 111.591 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 99' ' ' ALA . . . . . 0.428 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . . . -94.78 -51.2 4.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.793 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -58.89 -24.37 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.632 -0.713 . . . . 1.0 111.801 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.4 p -73.15 -60.14 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.3 tp -58.93 -44.46 91.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.0 111.06 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.86 -19.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.918 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -57.25 -41.26 79.28 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.485 ' O ' HG22 ' C' ' 109' ' ' VAL . 25.2 mt -62.15 -46.79 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.593 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.508 ' H ' HD12 ' C' ' 106' ' ' ILE . 5.1 mp -75.9 -30.11 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.774 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' C' ' 109' ' ' VAL . 44.9 t -83.18 -73.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.601 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -27.7 -36.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.477 0.486 . . . . 1.0 112.0 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.873 HG23 ' H ' ' C' ' 110' ' ' ILE . 30.1 m -81.19 -66.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 110' ' ' ILE . . . . . 0.873 ' H ' HG23 ' C' ' 109' ' ' VAL . 23.3 mt -51.26 -24.67 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.671 0.272 . . . . 1.0 110.406 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.445 ' O ' HD13 ' C' ' 115' ' ' LEU . 8.6 m -59.57 -53.95 52.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.865 0.364 . . . . 1.0 110.766 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -68.21 -23.7 64.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.115 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.69 -58.3 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.184 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.3 mp -67.15 -41.32 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.767 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.445 HD13 ' O ' ' C' ' 111' ' ' THR . 5.7 mp -56.37 -35.94 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' C' ' 119' ' ' HIS . 9.3 tp -71.72 -40.16 69.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.96 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -53.17 -20.67 4.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.081 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 118' ' ' SER . . . . . 0.413 ' C ' ' H ' ' C' ' 120' ' ' PHE . 3.3 m -62.38 -27.97 69.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' C' ' 116' ' ' LEU . 0.0 OUTLIER -64.04 -0.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.704 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 76.8 t80 -52.73 166.34 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.51 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.719 0 CA-C-O 117.906 -1.497 . . . . 1.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' HE1' ' CD ' ' A' ' 33' ' ' GLN . 8.1 t-105 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.936 0.398 . . . . 1.0 110.794 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 23.6 pt -92.36 -22.76 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.553 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.31 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.494 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.477 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -73.5 5.75 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.838 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' C' ' 96' ' ' MET . . . -40.27 -36.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.165 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 32' ' ' ARG . 33.8 p90 -84.57 -49.19 8.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.539 . . . . 1.0 110.799 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.605 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 14.3 ttm180 -62.73 -23.29 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.943 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' CD ' ' HE1' ' A' ' 25' ' ' TRP . 10.1 tt0 -59.26 -61.28 2.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -26.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.276 -0.875 . . . . 1.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.44 -46.86 3.4 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.449 -0.66 . . . . 1.0 111.449 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.9 t -46.74 -33.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.464 -0.433 . . . . 1.0 110.155 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.61 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.479 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -35.58 -24.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.311 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' ALA . 8.8 tp -89.96 -49.72 6.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -61.31 -36.73 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.282 -0.872 . . . . 1.0 110.46 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.98 -26.06 62.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 38' ' ' VAL . 23.7 t -76.61 -42.28 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.041 -0.264 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -47.14 -46.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 1.0 110.223 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.98 -39.35 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.406 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -51.86 -51.44 56.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.2 t -56.08 -49.15 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.462 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' ALA . 2.6 pp -160.85 135.28 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 29.6 p-10 -110.64 71.62 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.8 p -158.4 130.32 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.497 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.08 113.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.01 171.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.168 0.508 . . . . 1.0 111.045 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' THR . 2.4 pp -44.61 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.003 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.69 0.07 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.739 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.468 HH21 ' CD1' ' B' ' 57' ' ' LEU . 50.6 ttp85 -79.89 -47.89 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.783 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.4 t -62.66 -32.4 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD1' HH21 ' C' ' 55' ' ' ARG . 8.7 tp -48.76 -49.8 36.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.93 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.9 mm? -48.97 -51.7 29.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.89 -26.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.057 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -76.16 -55.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 1.0 110.304 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 p -64.76 -58.39 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 58' ' ' LEU . 3.0 p -49.86 -36.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.711 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 63' ' ' MET . 14.2 tmm? -68.21 -40.67 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 1.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -62.08 -53.44 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.687 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -34.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' VAL . 5.5 mmt -68.67 -26.95 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.796 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 64' ' ' LEU . 3.2 tt -55.33 -36.08 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 68' ' ' VAL . 3.8 m -85.29 -21.19 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' SER . 26.8 mm-40 -97.08 -79.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.899 -0.408 . . . . 1.0 109.899 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' SER . 2.2 mm -39.68 -60.31 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.9 tp -52.34 -40.02 61.42 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.4 t-20 -75.56 -10.22 59.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.334 0.588 . . . . 1.0 109.677 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.0 m -91.11 -51.65 5.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.16 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.91 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.6 pt -48.79 -36.99 8.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 119.951 -0.7 . . . . 1.0 109.321 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.2 mt-10 -82.95 -25.3 32.48 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.108 -0.33 . . . . 1.0 110.108 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -54.87 42.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.768 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.04 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.091 0.472 . . . . 1.0 109.803 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.65 -31.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.281 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLU . 9.1 m-20 -83.44 -108.1 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.577 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.74 ' H ' ' NH2' ' C' ' 92' ' ' ARG . 39.0 ttm-85 -104.3 6.24 35.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.179 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.85 -112.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.83 -143.02 5.65 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.611 -0.996 . . . . 1.0 110.611 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.49 81.17 8.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 1.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.87 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.91 -31.78 25.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.43 -34.55 77.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.46 110.62 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.0 tp -173.79 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.8 m -72.53 34.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.67 169.58 0.05 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.744 ' NH2' ' H ' ' B' ' 81' ' ' ARG . 12.3 ttm180 -85.44 -25.21 27.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.957 0.408 . . . . 1.0 110.322 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.99 -51.05 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.39 73.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.788 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.37 -40.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 1.0 110.985 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.52 ' HB2' ' HB1' ' B' ' 30' ' ' ALA . 41.0 mtt -74.61 -44.54 50.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.344 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.82 -35.88 92.44 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -52.79 -28.14 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.853 0.359 . . . . 1.0 110.809 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.15 -54.11 3.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.17 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 97' ' ' GLY . 3.6 t -66.28 -64.04 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.302 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.44 -47.4 66.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.185 0.517 . . . . 1.0 110.526 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 107' ' ' VAL . 17.8 mm -70.56 -21.21 22.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.692 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.57 -49.82 5.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.95 -38.77 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ILE . 24.4 mm -70.31 -31.1 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.507 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' VAL . 82.3 t -67.34 -77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.998 0.427 . . . . 1.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.37 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.703 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 107' ' ' VAL . 36.7 t -95.4 -83.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.639 0.257 . . . . 1.0 111.237 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.6 mm -45.58 -43.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.328 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.4 m -61.26 -47.35 86.42 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.419 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -66.87 -32.34 73.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.97 0.414 . . . . 1.0 110.073 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.84 -57.9 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -67.1 -40.8 86.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.54 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.77 -31.48 62.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 118' ' ' SER . 6.8 tp -71.54 -34.72 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.198 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.18 -20.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.084 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 116' ' ' LEU . 29.5 m -50.95 -22.81 2.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.501 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 6.1 p80 -62.74 -24.2 67.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.68 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.501 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 90.7 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.714 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.459 ' NE1' ' OE1' ' B' ' 33' ' ' GLN . 8.2 t-105 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.948 0.404 . . . . 1.0 110.773 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 23.8 pt -92.32 -22.66 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.641 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -108.39 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 29' ' ' ALA . 3.7 tm-20 -179.12 -81.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.488 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' B' ' 28' ' ' GLU . . . -73.59 5.75 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 96' ' ' MET . . . -40.11 -36.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.175 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.607 ' CG ' ' N ' ' B' ' 32' ' ' ARG . 33.8 p90 -84.52 -49.08 8.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.288 0.566 . . . . 1.0 110.841 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.607 ' N ' ' CG ' ' B' ' 31' ' ' PHE . 14.3 ttm180 -62.77 -23.42 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.895 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.459 ' OE1' ' NE1' ' B' ' 25' ' ' TRP . 10.1 tt0 -59.16 -61.28 2.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.579 -0.897 . . . . 1.0 108.579 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -40.97 -26.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.309 -0.86 . . . . 1.0 110.604 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -92.42 -46.79 3.42 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.507 -0.637 . . . . 1.0 111.507 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -46.78 -33.99 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.207 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.6 -66.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.541 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -35.6 -24.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.305 -178.372 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' ALA . 8.8 tp -89.9 -49.69 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.9 tp -61.38 -36.58 80.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.534 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.09 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.251 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 38' ' ' VAL . 23.9 t -76.54 -42.3 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.683 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.02 -46.53 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 1.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 44' ' ' ILE . 18.7 pt -75.03 -39.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.405 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -51.86 -51.39 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.17 -49.18 74.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.968 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -54.96 -32.41 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' B' ' 45' ' ' ALA . 2.5 pp -160.83 135.23 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 49' ' ' ASP . 29.7 p-10 -110.6 71.58 0.75 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.443 ' O ' HG13 ' B' ' 50' ' ' VAL . 10.9 p -158.28 130.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.05 113.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.354 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.51 171.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.147 0.499 . . . . 1.0 111.016 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.4 pp -44.62 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.029 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.422 ' C ' ' O ' ' B' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.76 0.07 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.379 0.425 . . . . 1.0 110.786 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.456 HH21 ' CD1' ' C' ' 57' ' ' LEU . 50.8 ttp85 -79.87 -47.89 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.748 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 53' ' ' ILE . 11.3 t -62.5 -32.41 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.468 ' CD1' HH21 ' A' ' 55' ' ' ARG . 8.8 tp -48.87 -49.7 38.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.893 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.534 ' O ' HG12 ' B' ' 62' ' ' VAL . 3.9 mm? -49.03 -51.72 29.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 1.0 109.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.02 -26.65 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 1.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -64.88 -58.37 6.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.083 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.534 HG12 ' O ' ' B' ' 58' ' ' LEU . 3.0 p -49.91 -36.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.689 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 63' ' ' MET . 14.2 tmm? -68.33 -40.73 81.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 1.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.518 ' O ' HG22 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -62.02 -53.48 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.49 -34.16 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' B' ' 62' ' ' VAL . 5.5 mmt -68.74 -26.85 65.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.735 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 64' ' ' LEU . 3.2 tt -55.47 -36.03 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.635 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' VAL . 3.8 m -85.34 -21.11 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.74 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' B' ' 73' ' ' SER . 26.6 mm-40 -97.09 -79.37 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 73' ' ' SER . 2.2 mm -39.73 -60.23 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.9 tp -52.45 -39.9 61.61 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.322 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.5 t-20 -75.72 -10.13 59.18 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.29 0.567 . . . . 1.0 109.647 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.9 m -91.02 -51.71 5.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.629 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.2 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.887 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' B' ' 71' ' ' LEU . 35.5 pt -48.77 -36.98 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.347 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 80' ' ' ASP . 53.3 mt-10 -82.96 -25.21 32.52 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.152 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.4 -54.91 41.64 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.464 -0.495 . . . . 1.0 110.779 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.02 22.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.872 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.65 -31.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.34 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' B' ' 76' ' ' GLU . 9.2 m-20 -83.4 -108.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.619 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.744 ' H ' ' NH2' ' A' ' 92' ' ' ARG . 39.2 ttm-85 -104.36 6.28 35.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 13.0 mt 64.93 -112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.81 -142.96 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -85.5 81.21 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.286 . . . . 1.0 110.52 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.94 22.01 0.98 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.482 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.97 25.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.18 -34.62 77.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.944 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.43 110.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.8 tp -173.58 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.749 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -72.44 34.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.5 169.6 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' C' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.27 27.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.902 0.382 . . . . 1.0 110.312 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.1 69.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.74 -32.45 73.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.76 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.35 -40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 1.0 110.882 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' C' ' 30' ' ' ALA . 41.0 mtt -74.54 -44.56 50.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.361 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.82 -35.97 92.55 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 29.0 t -52.76 -28.13 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 1.0 110.791 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.13 -54.12 3.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.28 -21.35 59.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 97' ' ' GLY . 3.6 t -66.22 -64.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.392 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.47 -47.27 66.6 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 1.0 110.582 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.462 HG22 HG23 ' B' ' 107' ' ' VAL . 18.0 mm -70.64 -21.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.696 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.53 -49.8 5.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.835 -0.346 . . . . 1.0 110.831 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.401 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -64.0 -38.77 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' B' ' 103' ' ' ILE . 24.2 mm -70.2 -31.22 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.604 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' B' ' 109' ' ' VAL . 82.8 t -67.3 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-O 121.066 0.46 . . . . 1.0 110.621 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.41 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.776 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 107' ' ' VAL . 36.5 t -95.46 -83.22 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.252 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.52 -43.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.37 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.32 -47.34 86.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.8 -32.39 73.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 1.0 110.111 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.82 -57.9 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.687 HD13 ' O ' ' B' ' 114' ' ' ILE . 0.2 OUTLIER -67.07 -40.71 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.591 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.82 -31.58 62.82 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' B' ' 118' ' ' SER . 6.7 tp -71.37 -34.84 70.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.204 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -46.24 -20.51 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.181 0.515 . . . . 1.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' SER . . . . . 0.431 ' N ' ' C ' ' B' ' 116' ' ' LEU . 28.7 m -50.94 -22.73 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.973 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 6.1 p80 -62.86 -24.19 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.606 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.487 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 90.7 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.65 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.465 ' HE1' ' CD ' ' C' ' 33' ' ' GLN . 8.2 t-105 . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.893 0.377 . . . . 1.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 23.8 pt -92.35 -22.77 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.29 42.57 1.35 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' C' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.515 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' C' ' 28' ' ' GLU . . . -73.6 5.66 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' B' ' 96' ' ' MET . . . -40.15 -36.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.389 -0.368 . . . . 1.0 111.232 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' C' ' 32' ' ' ARG . 34.0 p90 -84.61 -49.0 8.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.249 0.547 . . . . 1.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.608 ' N ' ' CG ' ' C' ' 31' ' ' PHE . 14.3 ttm180 -62.79 -23.47 67.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.89 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.465 ' CD ' ' HE1' ' C' ' 25' ' ' TRP . 10.1 tt0 -59.18 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -40.94 -26.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.41 -46.89 3.4 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.467 -0.653 . . . . 1.0 111.467 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.8 t -46.84 -33.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 122.427 -0.455 . . . . 1.0 110.147 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.75 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.497 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.605 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -35.57 -24.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.319 -178.364 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' C' ' 37' ' ' ALA . 7.3 tp -90.01 -49.59 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.6 tp -61.14 -36.87 80.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.08 63.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.386 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' C' ' 38' ' ' VAL . 23.7 t -76.54 -42.31 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.658 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -47.04 -46.48 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.025 0.44 . . . . 1.0 110.237 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.412 HG12 ' H ' ' C' ' 44' ' ' ILE . 18.8 pt -75.05 -39.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.397 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -51.91 -51.37 57.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 45.7 t -56.17 -49.14 74.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.969 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.08 -32.34 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.467 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ALA . 2.6 pp -160.81 135.27 7.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' C' ' 49' ' ' ASP . 29.8 p-10 -110.63 71.44 0.75 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.581 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' VAL . . . . . 0.433 ' O ' HG13 ' C' ' 50' ' ' VAL . 10.8 p -158.24 130.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.09 112.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.393 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.88 171.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 1.0 111.074 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' C' ' 54' ' ' THR . 2.3 pp -44.62 -37.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 1.0 111.003 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' THR . . . . . 0.424 ' C ' ' O ' ' C' ' 53' ' ' ILE . 0.9 OUTLIER -34.23 -39.81 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.763 -179.534 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.466 HH21 ' CD1' ' A' ' 57' ' ' LEU . 50.7 ttp85 -79.74 -47.89 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.823 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 53' ' ' ILE . 11.6 t -62.61 -32.34 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.456 ' CD1' HH21 ' B' ' 55' ' ' ARG . 8.7 tp -48.89 -49.77 38.21 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.976 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.52 ' O ' HG12 ' C' ' 62' ' ' VAL . 3.9 mm? -48.82 -51.86 27.21 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.88 -26.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -76.07 -55.23 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.956 0.408 . . . . 1.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.2 p -64.77 -58.42 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.132 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.52 HG12 ' O ' ' C' ' 58' ' ' LEU . 3.0 p -49.91 -36.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.697 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' C' ' 63' ' ' MET . 14.2 tmm? -68.4 -40.67 81.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.0 110.73 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.512 ' O ' HG22 ' C' ' 67' ' ' ILE . 0.2 OUTLIER -62.01 -53.46 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.36 -34.3 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.535 -0.466 . . . . 1.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' C' ' 62' ' ' VAL . 5.5 mmt -68.65 -26.97 65.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.758 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 67' ' ' ILE . . . . . 0.512 HG22 ' O ' ' C' ' 64' ' ' LEU . 3.2 tt -55.39 -36.0 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.769 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.31 -21.15 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.508 -0.477 . . . . 1.0 110.737 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' C' ' 73' ' ' SER . 26.7 mm-40 -97.11 -79.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' C' ' 73' ' ' SER . 2.2 mm -39.71 -60.3 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.593 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.9 tp -52.32 -40.05 61.39 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 119.899 -0.72 . . . . 1.0 109.366 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.5 t-20 -75.64 -10.09 59.14 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.307 0.575 . . . . 1.0 109.679 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.9 m -91.07 -51.63 5.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.449 -0.796 . . . . 1.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.593 HG23 ' O ' ' C' ' 71' ' ' LEU . 35.7 pt -48.85 -36.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 119.81 -0.756 . . . . 1.0 109.356 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 80' ' ' ASP . 53.1 mt-10 -82.97 -25.22 32.49 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.13 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.84 42.46 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.829 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.35 -31.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.848 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.67 -31.06 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.302 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 76' ' ' GLU . 9.2 m-20 -83.43 -108.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.596 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.735 ' H ' ' NH2' ' B' ' 92' ' ' ARG . 39.1 ttm-85 -104.3 6.2 35.14 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.144 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.86 -112.74 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.86 -142.98 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.46 81.08 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.33 . . . . 1.0 110.557 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.84 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.521 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.78 25.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.4 -34.53 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.33 110.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' C' ' 91' ' ' GLY . 6.9 tp -173.71 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.754 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 66.1 m -72.45 34.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.57 169.58 0.05 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.74 ' NH2' ' H ' ' A' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.24 27.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 1.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.06 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.643 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.41 73.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.39 -40.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 1.0 110.912 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.496 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 41.2 mtt -74.59 -44.51 50.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.367 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.572 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.83 -36.01 92.59 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -52.68 -28.17 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 1.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.22 -54.03 3.99 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.17 59.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.572 HG23 ' O ' ' C' ' 97' ' ' GLY . 3.6 t -66.27 -64.03 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.361 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.4 -47.26 66.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.298 0.57 . . . . 1.0 110.666 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.461 HG22 HG23 ' C' ' 107' ' ' VAL . 17.9 mm -70.77 -21.11 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -42.58 -49.87 5.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.758 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.9 -38.79 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' C' ' 103' ' ' ILE . 24.4 mm -70.29 -31.17 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.541 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 109' ' ' VAL . 81.6 t -67.33 -77.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.978 0.418 . . . . 1.0 110.624 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.46 -26.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.773 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' C' ' 107' ' ' VAL . 36.7 t -95.41 -83.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.254 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.55 -43.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.333 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -61.32 -47.33 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.371 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.0 110.14 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -65.85 -57.99 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.921 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' C' ' 114' ' ' ILE . 0.2 OUTLIER -67.06 -40.81 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.7 -31.62 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' C' ' 118' ' ' SER . 6.8 tp -71.46 -34.82 70.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.14 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.16 -20.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 110.075 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 118' ' ' SER . . . . . 0.435 ' N ' ' C ' ' C' ' 116' ' ' LEU . 29.3 m -50.87 -22.88 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.953 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 6.0 p80 -62.74 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.654 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 90.8 t80 45.36 -93.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.722 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 117.991 -1.45 . . . . 1.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 1.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 26' ' ' ILE . 92.6 mt -72.38 -13.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.444 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -61.38 -62.04 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.632 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' ALA . 35.1 tt0 -124.97 -44.7 1.91 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' HH21 ' A' ' 32' ' ' ARG . . . -65.23 4.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.693 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -41.42 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.0 t80 -76.09 -48.99 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 ' HB2' ' A' ' 29' ' ' ALA . 88.2 mtm-85 -63.21 -33.5 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.72 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 36' ' ' VAL . 19.2 tp60 -59.44 -63.96 1.12 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 tt0 -35.8 -31.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.068 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -76.8 -43.36 18.27 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.507 -1.037 . . . . 1.0 110.507 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' GLN . 80.9 t -48.51 -45.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -12.95 60.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.003 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 34' ' ' GLU . 95.6 t -93.16 -31.66 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.682 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.01 -62.86 1.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.728 0.299 . . . . 1.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.06 -39.42 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.888 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.12 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.771 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 76.1 t -77.83 -39.57 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.741 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -47.28 -38.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 1.0 110.411 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -73.9 -43.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.68 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.443 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.37 -39.41 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.623 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -102.28 -168.24 1.51 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.376 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.14 -0.96 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -156.75 133.97 10.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.463 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.79 -178.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.327 0.584 . . . . 1.0 111.672 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 56' ' ' VAL . 2.2 pp -50.89 -38.7 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.93 . . . . 1.0 110.957 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ILE . 82.6 p -35.03 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.022 0.439 . . . . 1.0 110.633 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ILE . 45.7 ttp85 -80.55 -48.23 13.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.197 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' ILE . 4.0 t -66.14 -39.12 83.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.641 -0.709 . . . . 1.0 111.058 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.5 tt -47.62 -46.05 28.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 62' ' ' VAL . 16.0 mt -47.87 -45.81 30.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.46 HD12 HD11 ' B' ' 64' ' ' LEU . 14.4 mm -73.24 -26.47 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.201 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -69.77 -55.72 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.6 -60.43 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.197 0.523 . . . . 1.0 111.038 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.612 HG12 HD12 ' C' ' 103' ' ' ILE . 11.3 m -50.42 -33.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.05 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' A' ' 66' ' ' MET . 24.5 tpp -68.38 -47.06 68.39 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.398 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HD12 ' C' ' 59' ' ' ILE . 3.5 mp -54.19 -52.62 60.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.161 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 16.8 m -62.19 -33.18 57.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -62.57 -44.38 96.46 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.75 -46.98 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.0 t -83.88 -34.14 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 112.299 0.481 . . . . 1.0 112.299 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 mp0 -92.09 -79.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.411 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 70' ' ' ILE . 21.2 mm -41.57 -55.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.142 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.6 tp -53.75 -36.75 62.69 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 119.224 -0.99 . . . . 1.0 109.41 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 59.4 t-20 -79.44 -11.9 59.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.084 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.54 -52.25 4.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.148 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.5 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 109.952 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.8 pt -51.49 -34.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.766 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ASP . 66.7 tt0 -86.76 -26.9 23.93 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.29 -51.48 69.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.13 -32.06 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 115.143 -0.935 . . . . 1.0 109.548 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.67 -24.53 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.115 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.8 t0 -82.53 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.661 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ILE . 13.5 ptm180 -106.0 -35.3 7.32 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.824 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.5 tt 36.05 98.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.164 0.506 . . . . 1.0 111.348 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -79.84 -33.32 33.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 83' ' ' GLY . 6.4 m 58.31 119.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 1.0 110.68 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -44.72 153.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.74 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.77 -27.92 28.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.62 -62.44 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.859 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.04 101.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.231 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' GLY . 6.7 tp -155.77 -21.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.76 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -64.91 59.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.555 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 60.72 164.7 0.21 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.55 -19.52 33.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.19 0.519 . . . . 1.0 109.825 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.31 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' GLY . 54.2 tttp -66.91 -35.22 79.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.228 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 30.7 m-20 -41.12 -35.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.979 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.85 -43.22 59.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.212 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.26 -37.01 93.49 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.16 -27.18 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 1.0 110.58 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.9 -53.63 3.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -57.59 -22.75 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.671 -0.695 . . . . 1.0 111.539 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.7 p -74.07 -60.12 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.682 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.4 tp -56.21 -49.27 74.57 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.398 0.618 . . . . 1.0 110.914 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 HG12 ' B' ' 62' ' ' VAL . 3.9 pt -69.2 -18.79 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.309 -0.556 . . . . 1.0 110.442 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.0 -49.0 4.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.059 0.457 . . . . 1.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 106' ' ' ILE . 2.3 tt -67.04 -43.33 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.357 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 105' ' ' ILE . 1.7 mp -67.25 -35.38 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.44 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 109' ' ' VAL . 66.1 t -79.32 -74.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.203 -0.199 . . . . 1.0 110.992 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -35.0 -29.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.958 0.409 . . . . 1.0 111.217 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 107' ' ' VAL . 87.7 t -87.38 -81.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.421 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.0 mm -45.85 -24.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.878 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 62.6 m -59.34 -50.94 72.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.933 0.397 . . . . 1.0 110.159 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.61 -24.34 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.504 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.56 -59.33 5.62 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.819 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.41 -40.4 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.31 73.19 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.77 -43.68 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.432 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.88 -32.32 44.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.127 0.489 . . . . 1.0 110.18 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 m -49.71 -33.8 17.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.73 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.485 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.81 0.338 . . . . 1.0 110.174 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.444 HG22 ' O ' ' B' ' 26' ' ' ILE . 92.8 mt -72.26 -13.88 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.25 -62.06 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.663 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' B' ' 30' ' ' ALA . 35.2 tt0 -124.97 -44.63 1.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.987 0.422 . . . . 1.0 110.469 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.701 ' HB2' HH21 ' B' ' 32' ' ' ARG . . . -65.37 4.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -41.35 -23.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' B' ' 29' ' ' ALA . 23.0 t80 -76.02 -48.89 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.248 0.547 . . . . 1.0 109.734 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' B' ' 29' ' ' ALA . 88.3 mtm-85 -63.31 -33.54 75.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.6 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' B' ' 36' ' ' VAL . 19.4 tp60 -59.46 -63.92 1.13 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.569 -0.9 . . . . 1.0 108.569 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 38' ' ' VAL . 78.5 tt0 -35.83 -31.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.128 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -76.95 -43.29 17.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.467 -1.053 . . . . 1.0 110.467 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.564 ' N ' ' O ' ' B' ' 33' ' ' GLN . 81.1 t -48.51 -45.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.57 -13.02 60.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.034 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 34' ' ' GLU . 96.1 t -93.15 -31.63 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.68 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.01 -62.85 1.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.73 0.3 . . . . 1.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.0 -39.5 41.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.869 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.21 74.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.743 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 38' ' ' VAL . 76.0 t -77.7 -39.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.688 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -47.23 -38.17 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 1.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.95 -43.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.68 72.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.3 m -60.69 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -43.33 -39.31 3.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.73 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.26 -168.21 1.5 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.421 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.13 -1.02 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.416 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 p -158.49 140.29 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -156.86 133.89 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.445 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.77 -178.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.298 0.571 . . . . 1.0 111.715 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.2 pp -50.9 -38.68 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.996 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 53' ' ' ILE . 82.7 p -34.95 -33.24 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.059 0.457 . . . . 1.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 53' ' ' ILE . 45.7 ttp85 -80.58 -48.31 12.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.131 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 53' ' ' ILE . 4.0 t -66.06 -39.24 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.054 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.5 tt -47.56 -46.12 27.67 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.535 ' O ' HG13 ' B' ' 62' ' ' VAL . 15.9 mt -47.77 -45.86 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.518 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.479 HD12 HD11 ' C' ' 64' ' ' LEU . 14.4 mm -73.19 -26.49 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.251 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.8 -55.75 8.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -60.67 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.155 0.503 . . . . 1.0 110.972 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 103' ' ' ILE . 11.4 m -50.46 -33.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.072 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' B' ' 66' ' ' MET . 24.7 tpp -68.24 -47.2 68.42 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.433 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 59' ' ' ILE . 3.4 mp -54.14 -52.49 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.196 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' B' ' 69' ' ' GLU . 16.6 m -62.37 -33.05 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' B' ' 63' ' ' MET . 0.0 OUTLIER -62.65 -44.38 96.41 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.708 -0.478 . . . . 1.0 109.708 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.3 mt -50.71 -47.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.862 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.72 -34.23 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' B' ' 69' ' ' GLU . 1.1 mp0 -92.06 -79.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.42 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.94 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.142 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.6 tp -53.78 -36.66 62.65 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 119.18 -1.008 . . . . 1.0 109.408 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 72' ' ' ASN . 59.3 t-20 -79.42 -11.88 59.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.118 0.485 . . . . 1.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.56 -52.22 5.01 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.106 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.59 73.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.908 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' LEU . 34.6 pt -51.41 -35.04 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.784 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 66.8 tt0 -86.73 -26.97 23.94 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.53 68.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.1 -32.1 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.526 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.7 -24.41 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.127 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.0 t0 -82.65 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.633 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 82' ' ' ILE . 13.5 ptm180 -105.99 -35.3 7.32 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.5 tt 36.01 98.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.276 0.56 . . . . 1.0 111.331 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -79.8 -33.26 34.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.609 -0.996 . . . . 1.0 110.609 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 83' ' ' GLY . 6.3 m 58.3 119.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.78 153.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.741 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -83.82 -27.86 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.755 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.68 -62.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.0 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 91' ' ' GLY . 6.8 tp -155.83 -21.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.659 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 54.1 m -65.0 59.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.932 0.396 . . . . 1.0 111.543 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 60.72 164.69 0.21 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.52 -19.58 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.095 0.474 . . . . 1.0 109.773 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -50.29 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.558 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' B' ' 97' ' ' GLY . 54.1 tttp -66.8 -35.41 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 1.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 30.9 m-20 -41.04 -35.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.921 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.404 ' HG2' HD11 ' C' ' 70' ' ' ILE . 29.2 mtm -73.81 -43.22 59.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.238 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.489 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.21 -37.04 93.57 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -51.22 -27.15 8.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 1.0 110.583 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.92 -53.55 3.64 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -57.63 -22.81 47.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.446 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.699 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.6 p -74.03 -60.16 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.235 0.457 . . . . 1.0 112.235 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.699 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -55.98 -49.44 73.57 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.36 0.6 . . . . 1.0 110.944 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.613 HD12 HG12 ' C' ' 62' ' ' VAL . 3.9 pt -69.21 -18.71 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.474 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.03 -48.97 4.71 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.094 0.473 . . . . 1.0 110.359 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.475 HG23 HD12 ' B' ' 106' ' ' ILE . 2.3 tt -67.06 -43.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.326 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.475 HD12 HG23 ' B' ' 105' ' ' ILE . 1.7 mp -67.18 -35.43 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.412 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 109' ' ' VAL . 66.7 t -79.33 -73.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 121.19 -0.204 . . . . 1.0 111.016 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -35.01 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.949 0.404 . . . . 1.0 111.253 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 107' ' ' VAL . 87.1 t -87.41 -81.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.4 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.84 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.914 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 62.5 m -59.41 -50.82 72.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.914 0.388 . . . . 1.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.76 -24.17 55.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.55 -59.44 5.44 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.715 -0.394 . . . . 1.0 110.825 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.29 -40.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.538 ' O ' HD23 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -56.53 -39.36 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.69 -43.76 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.411 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -52.92 -32.24 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.987 0.423 . . . . 1.0 110.13 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 36.9 m -49.68 -33.88 16.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.223 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -46.68 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 73.2 t80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.414 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.738 0.304 . . . . 1.0 110.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.438 ' O ' HG22 ' C' ' 26' ' ' ILE . 92.8 mt -72.4 -13.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.39 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.2 -62.05 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' C' ' 30' ' ' ALA . 35.1 tt0 -125.07 -44.62 1.9 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.394 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.677 ' HB2' HH21 ' C' ' 32' ' ' ARG . . . -65.35 4.26 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.587 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -41.38 -23.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' C' ' 29' ' ' ALA . 22.8 t80 -75.99 -48.99 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.204 0.526 . . . . 1.0 109.715 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.677 HH21 ' HB2' ' C' ' 29' ' ' ALA . 88.1 mtm-85 -63.19 -33.59 75.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.628 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' C' ' 36' ' ' VAL . 19.4 tp60 -59.42 -64.03 1.09 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' C' ' 38' ' ' VAL . 78.5 tt0 -35.78 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.303 -0.862 . . . . 1.0 111.109 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -76.88 -43.31 18.0 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.501 -1.04 . . . . 1.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.56 ' N ' ' O ' ' C' ' 33' ' ' GLN . 81.7 t -48.48 -45.58 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.768 -0.456 . . . . 1.0 109.768 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.9 60.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.039 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' C' ' 34' ' ' GLU . 95.8 t -93.2 -31.61 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.05 -62.8 1.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.723 0.297 . . . . 1.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -49.88 -39.65 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.921 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.24 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 38' ' ' VAL . 76.3 t -77.79 -39.69 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -47.22 -38.15 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 1.0 110.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.03 -43.26 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.545 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.664 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.69 -51.93 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.35 -39.27 3.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.684 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -102.38 -168.17 1.5 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.391 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.19 -0.97 2.67 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.404 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.25 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -156.8 133.88 10.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.385 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.76 -178.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.375 0.607 . . . . 1.0 111.671 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' C' ' 56' ' ' VAL . 2.2 pp -50.82 -38.82 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.951 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' C' ' 53' ' ' ILE . 82.8 p -34.96 -33.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.995 0.426 . . . . 1.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' C' ' 53' ' ' ILE . 45.5 ttp85 -80.51 -48.3 12.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.198 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' C' ' 53' ' ' ILE . 4.0 t -66.09 -39.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 1.0 111.092 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.5 tt -47.55 -46.14 27.57 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' C' ' 62' ' ' VAL . 15.9 mt -47.79 -45.79 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.527 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 64' ' ' LEU . 14.4 mm -73.3 -26.46 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.217 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.76 -55.78 8.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.64 -60.35 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.172 0.51 . . . . 1.0 111.038 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.613 HG12 HD12 ' B' ' 103' ' ' ILE . 11.3 m -50.48 -32.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.045 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.544 ' CE ' ' SD ' ' C' ' 66' ' ' MET . 24.3 tpp -68.43 -47.02 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.368 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.479 HD11 HD12 ' B' ' 59' ' ' ILE . 3.4 mp -54.29 -52.49 61.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.159 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' C' ' 69' ' ' GLU . 16.8 m -62.28 -33.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.59 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.544 ' SD ' ' CE ' ' C' ' 63' ' ' MET . 0.0 OUTLIER -62.6 -44.4 96.39 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -50.74 -47.08 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.803 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.74 -34.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 N-CA-C 112.433 0.531 . . . . 1.0 112.433 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' C' ' 69' ' ' GLU . 1.2 mp0 -92.11 -79.42 0.38 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.42 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' C' ' 70' ' ' ILE . 21.3 mm -41.65 -55.85 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.597 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.6 tp -53.81 -36.73 62.8 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 119.199 -1.001 . . . . 1.0 109.378 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' C' ' 72' ' ' ASN . 59.2 t-20 -79.34 -11.92 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.151 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.5 m -90.58 -52.16 5.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.187 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.51 73.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.153 0.501 . . . . 1.0 109.941 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.597 HG23 ' O ' ' C' ' 71' ' ' LEU . 34.6 pt -51.34 -35.11 15.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.778 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 66.7 tt0 -86.69 -26.96 24.02 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 120.619 0.247 . . . . 1.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.51 69.1 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.045 -0.724 . . . . 1.0 109.045 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -54.11 -32.07 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.521 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.67 -24.5 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 60.9 t0 -82.61 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.621 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 82' ' ' ILE . 13.5 ptm180 -106.01 -35.33 7.3 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.5 tt 36.06 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.218 0.532 . . . . 1.0 111.367 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -79.81 -33.23 34.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' C' ' 83' ' ' GLY . 6.3 m 58.36 119.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 1.0 110.712 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.72 153.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.726 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.73 -28.01 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.753 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.58 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.99 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' C' ' 91' ' ' GLY . 6.7 tp -155.78 -21.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.723 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -64.98 59.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 60.57 164.67 0.2 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.43 -19.64 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 1.0 109.789 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.64 -50.36 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.582 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' C' ' 97' ' ' GLY . 54.2 tttp -66.93 -35.28 79.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.196 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 30.8 m-20 -40.95 -35.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.961 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 70' ' ' ILE . 29.3 mtm -73.81 -43.25 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.407 . . . . 1.0 110.159 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.484 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.15 -37.02 93.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.3 -27.12 8.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.83 -53.65 3.62 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -57.59 -22.78 47.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.685 . . . . 1.0 111.471 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.5 p -74.07 -60.24 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.138 0.422 . . . . 1.0 112.138 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.4 tp -55.99 -49.42 73.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.356 0.598 . . . . 1.0 110.911 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.612 HD12 HG12 ' A' ' 62' ' ' VAL . 3.9 pt -69.14 -18.79 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.99 -49.02 4.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.068 0.461 . . . . 1.0 110.313 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.466 HG23 HD12 ' C' ' 106' ' ' ILE . 2.3 tt -66.97 -43.32 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.422 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.466 HD12 HG23 ' C' ' 105' ' ' ILE . 1.7 mp -67.31 -35.43 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 120.106 -0.637 . . . . 1.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 109' ' ' VAL . 65.9 t -79.29 -73.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.25 -0.18 . . . . 1.0 110.997 -179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -35.02 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.955 0.407 . . . . 1.0 111.235 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' C' ' 107' ' ' VAL . 88.4 t -87.34 -81.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.477 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 44.8 mm -45.83 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.944 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 61.9 m -59.31 -51.01 71.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.087 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.68 -24.24 55.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.503 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.51 -59.38 5.54 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.885 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.32 -40.52 86.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.556 ' O ' HD23 ' C' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.28 73.13 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.8 -43.59 65.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.426 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -52.99 -32.35 45.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 1.0 110.064 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 34.4 m -49.71 -33.78 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.25 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -46.7 85.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.551 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -156.18 141.66 17.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.975 -1.458 . . . . 1.0 110.972 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.986 0.422 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 2.0 pp -56.78 -12.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.373 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.25 -64.03 1.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.576 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 30' ' ' ALA . 40.9 tt0 -100.6 -52.62 3.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.012 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 1.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.113 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 26' ' ' ILE . . . -35.39 -38.07 0.09 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.819 0.342 . . . . 1.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 53.2 p90 -91.02 -39.62 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.79 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.994 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 36' ' ' VAL . 44.6 tt0 -59.58 -61.0 2.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.922 -0.77 . . . . 1.0 108.922 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.5 mt-10 -37.69 -33.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.675 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -78.35 -43.56 12.67 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.178 -1.169 . . . . 1.0 110.178 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' GLN . 68.7 t -48.36 -47.01 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.55 -11.75 54.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.841 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 34' ' ' GLU . 89.1 t -93.9 -32.83 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.315 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.45 -62.85 1.37 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.952 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.2 tt -50.82 -37.84 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.281 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.96 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.239 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 71.6 t -87.19 -47.7 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.664 0.269 . . . . 1.0 111.417 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.66 -47.81 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.089 0.471 . . . . 1.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -61.08 -45.52 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.099 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -54.57 -29.12 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.9 m -69.1 -42.24 76.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.002 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.52 -53.59 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.364 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.0 mp -87.1 174.6 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.289 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.56 -150.7 0.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -152.94 173.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.62 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 1.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.05 151.34 0.66 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 pt -135.96 27.03 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 p -60.72 -46.56 89.94 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.308 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.92 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.8 t -60.98 -29.16 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.619 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 tp -49.04 -39.37 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.48 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.234 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 HG12 ' C' ' 107' ' ' VAL . 96.6 mt -77.2 -57.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.799 . . . . 1.0 109.334 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -33.53 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 77.5 p -64.47 -62.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.5 . . . . 1.0 109.83 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.5 t -62.79 -27.29 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.818 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ttp -57.32 -38.39 73.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -53.95 -34.68 60.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -53.66 -30.92 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.996 179.26 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' GLU . 45.8 mtt -56.08 -49.95 72.36 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.462 ' H ' HG23 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -47.03 -24.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.618 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -27.52 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.13 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 66' ' ' MET . 54.7 mt-10 -97.91 -61.72 1.35 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.921 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' SER . 54.3 mt -55.1 -61.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.79 -36.48 37.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.106 -0.637 . . . . 1.0 109.401 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -75.83 -12.44 60.17 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -84.66 -51.63 6.69 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.42 77.05 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.656 -0.868 . . . . 1.0 108.656 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.4 -20.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.814 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ASP . 71.1 tt0 -96.48 -32.25 12.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.901 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -60.16 -52.47 65.2 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.047 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 82' ' ' ILE . 8.1 p -56.02 -37.94 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.834 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.407 ' N ' HG13 ' A' ' 78' ' ' VAL . 89.8 t -80.71 -25.68 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' GLU . 34.9 t0 -83.36 -109.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.528 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -104.84 -55.12 2.38 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER 71.59 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 116.219 -0.446 . . . . 1.0 109.889 -179.013 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.54 -108.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 1.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.588 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.68 -51.86 7.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.589 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' LEU . 95.0 m-70 -79.75 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.655 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' A' ' 95' ' ' ASP . 28.6 mm-40 -55.19 90.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.262 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -142.69 -21.12 0.66 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.071 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -67.73 55.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 66.83 160.76 1.05 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.9 -23.68 41.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.168 0.508 . . . . 1.0 109.651 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . -63.49 -51.3 66.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.47 -34.93 74.74 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.937 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.416 ' OD2' ' OE1' ' A' ' 88' ' ' GLU . 13.5 t0 -44.74 -40.06 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.35 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.86 -44.74 61.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.202 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.616 ' O ' HG22 ' A' ' 101' ' ' VAL . . . -64.67 -35.21 91.65 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.479 -1.049 . . . . 1.0 110.479 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -48.72 -30.49 5.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.695 0.283 . . . . 1.0 111.191 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -49.76 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -57.18 -25.6 59.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.608 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 97' ' ' GLY . 19.2 m -70.25 -55.74 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.119 -0.633 . . . . 1.0 110.05 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 101' ' ' VAL . 4.1 mp -57.78 -49.78 75.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.963 -0.695 . . . . 1.0 109.615 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 107' ' ' VAL . 4.0 mp -73.89 -25.88 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.702 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -47.42 -43.34 23.7 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.263 -0.575 . . . . 1.0 109.723 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.16 -38.79 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 110' ' ' ILE . 76.1 mt -72.82 -64.88 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.46 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.908 HG23 ' H ' ' A' ' 108' ' ' ALA . 16.6 m -47.87 -67.15 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.506 -0.478 . . . . 1.0 110.737 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -34.45 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.004 0.431 . . . . 1.0 111.173 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 107' ' ' VAL . 95.7 t -93.23 -80.13 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.585 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.55 HD12 ' CG2' ' A' ' 106' ' ' ILE . 72.5 mt -46.26 -35.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.08 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 22.0 m -58.38 -52.69 64.56 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.611 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -67.51 -29.56 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.184 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.49 -59.1 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.324 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.28 -39.28 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.812 0.339 . . . . 1.0 110.233 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.49 -42.22 77.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.028 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.96 -45.3 78.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -56.42 -21.08 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.961 0.41 . . . . 1.0 110.119 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.65 -27.07 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.278 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.44 -47.02 85.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.853 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.913 0.387 . . . . 1.0 110.57 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 2.0 pp -56.82 -12.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.34 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.27 -64.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.596 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 30' ' ' ALA . 41.0 tt0 -100.5 -52.7 3.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -60.28 1.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.112 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' B' ' 26' ' ' ILE . . . -35.34 -38.14 0.09 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.892 0.377 . . . . 1.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 53.2 p90 -91.05 -39.63 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.811 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.77 78.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.028 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' B' ' 36' ' ' VAL . 44.5 tt0 -59.46 -61.11 2.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' O ' HG23 ' B' ' 38' ' ' VAL . 79.7 mt-10 -37.7 -33.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.693 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -78.41 -43.57 12.47 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' B' ' 33' ' ' GLN . 68.7 t -48.26 -47.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.8 54.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.821 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 34' ' ' GLU . 88.1 t -93.84 -32.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.38 -63.01 1.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 44' ' ' ILE . 6.2 tt -50.56 -38.06 42.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.289 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.246 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 38' ' ' VAL . 70.2 t -87.28 -47.74 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.621 -0.263 . . . . 1.0 111.308 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.59 -47.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 1.0 110.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.565 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -60.98 -45.63 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.155 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.565 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -54.39 -29.24 48.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.516 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 23.0 m -69.08 -42.24 76.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 109.991 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.51 -53.57 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -87.1 174.67 8.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.331 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -90.61 -150.78 0.23 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 20.1 m -152.84 173.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.28 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -170.57 -157.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.377 . . . . 1.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.37 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.97 26.93 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.075 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.403 ' O ' ' N ' ' B' ' 57' ' ' LEU . 33.5 p -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.277 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.87 14.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.557 -0.535 . . . . 1.0 109.557 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.42 HG23 ' H ' ' B' ' 56' ' ' VAL . 3.8 t -61.05 -29.08 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.657 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 54' ' ' THR . 46.3 tp -49.02 -39.43 27.01 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.559 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.46 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.001 -0.741 . . . . 1.0 109.001 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.431 HD13 HG12 ' A' ' 107' ' ' VAL . 96.6 mt -77.16 -57.56 5.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.337 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -46.03 -33.53 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.35 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 77.3 p -64.41 -62.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 1.0 109.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 65' ' ' VAL . 16.2 t -62.75 -27.36 42.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.752 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.1 ttp -57.37 -38.4 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.81 -34.78 60.22 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.053 -0.721 . . . . 1.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.542 HG12 ' O ' ' B' ' 62' ' ' VAL . 0.3 OUTLIER -53.7 -30.87 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.048 179.292 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.527 ' O ' ' N ' ' B' ' 69' ' ' GLU . 45.7 mtt -56.01 -50.02 72.04 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.228 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -24.3 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 119.869 -0.732 . . . . 1.0 109.578 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 4.1 t -88.93 -27.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.1 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' MET . 54.7 mt-10 -97.85 -61.93 1.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.856 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 73' ' ' SER . 53.5 mt -54.74 -61.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -36.42 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.165 -0.614 . . . . 1.0 109.462 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.89 -12.42 60.15 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.2 m -84.81 -51.51 6.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.53 76.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mm -57.32 -20.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.699 -1.137 . . . . 1.0 109.852 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 80' ' ' ASP . 71.3 tt0 -96.58 -32.2 12.37 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.81 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -60.15 -52.48 65.14 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.048 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' B' ' 82' ' ' ILE . 8.1 p -56.07 -37.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.909 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' B' ' 78' ' ' VAL . 89.8 t -80.83 -25.62 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.48 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' B' ' 76' ' ' GLU . 35.0 t0 -83.33 -109.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.528 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.83 -55.18 2.37 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.847 0.314 . . . . 1.0 111.847 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' B' ' 78' ' ' VAL . 0.2 OUTLIER 71.51 139.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.927 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.48 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 1.0 110.633 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -81.69 -51.81 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 95.0 m-70 -79.81 -62.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.652 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.417 ' OE1' ' OD2' ' B' ' 95' ' ' ASP . 28.7 mm-40 -55.22 90.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.534 ' O ' HD23 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -142.66 -21.2 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.095 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 78.9 p -67.69 55.36 0.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 1.0 111.265 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 66.74 160.78 1.03 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.85 -23.77 41.75 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ALA . . . . . 0.409 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -63.38 -51.35 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.608 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.46 -34.96 74.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.848 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD2' ' OE1' ' B' ' 88' ' ' GLU . 13.5 t0 -44.61 -40.19 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.395 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.81 -44.74 61.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.573 -0.451 . . . . 1.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 101' ' ' VAL . . . -64.68 -35.17 91.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.529 -1.028 . . . . 1.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.76 -30.5 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 1.0 111.204 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 -49.68 5.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -57.17 -25.7 59.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.579 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 97' ' ' GLY . 19.2 m -70.16 -55.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.599 ' N ' HG23 ' B' ' 101' ' ' VAL . 4.1 mp -57.73 -49.81 75.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.995 -0.682 . . . . 1.0 109.664 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' B' ' 107' ' ' VAL . 4.0 mp -73.92 -25.75 20.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.787 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -47.45 -43.36 23.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.273 -0.571 . . . . 1.0 109.664 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.16 -38.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.552 ' CG2' HD12 ' B' ' 110' ' ' ILE . 75.3 mt -72.68 -65.0 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.531 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.915 HG23 ' H ' ' B' ' 108' ' ' ALA . 16.6 m -47.87 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.75 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.915 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -34.5 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.039 0.447 . . . . 1.0 111.234 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 107' ' ' VAL . 97.4 t -93.14 -80.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.669 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' B' ' 106' ' ' ILE . 72.4 mt -46.23 -35.82 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.039 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 22.1 m -58.38 -52.65 64.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.629 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.53 -29.66 69.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.149 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.43 -58.99 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.356 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.34 -39.22 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.828 0.347 . . . . 1.0 110.28 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.54 -42.23 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 1.0 109.985 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.9 -45.31 78.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -56.46 -21.1 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 1.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.68 -26.97 68.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.327 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.51 -47.01 85.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.855 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 120.871 0.367 . . . . 1.0 110.562 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.927 0.394 . . . . 1.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 2.0 pp -56.88 -12.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.382 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.18 -64.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' C' ' 30' ' ' ALA . 40.9 tt0 -100.44 -52.73 3.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.081 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 1.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.143 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' C' ' 26' ' ' ILE . . . -35.36 -38.22 0.1 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.93 0.395 . . . . 1.0 111.451 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 53.3 p90 -90.98 -39.65 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 15.7 tpt180 -61.11 -36.2 79.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.983 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' C' ' 36' ' ' VAL . 44.4 tt0 -59.17 -61.0 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.532 ' O ' HG23 ' C' ' 38' ' ' VAL . 79.6 mt-10 -37.75 -33.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.692 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -78.44 -43.62 12.31 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.176 -1.17 . . . . 1.0 110.176 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' C' ' 33' ' ' GLN . 58.9 t -48.24 -47.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.416 -0.514 . . . . 1.0 109.665 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -11.78 54.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.532 HG23 ' O ' ' C' ' 34' ' ' GLU . 85.9 t -93.76 -33.0 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.37 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.38 -62.86 1.37 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.458 ' O ' HG22 ' C' ' 44' ' ' ILE . 6.2 tt -50.66 -37.99 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.784 0.326 . . . . 1.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.95 67.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 38' ' ' VAL . 71.9 t -87.17 -47.71 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.591 0.234 . . . . 1.0 111.412 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.72 -47.75 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 1.0 110.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.562 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -61.02 -45.6 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.562 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -54.54 -29.06 49.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.567 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 22.7 m -69.1 -42.33 76.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.011 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.44 -53.48 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.483 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.587 HD12 ' N ' ' C' ' 48' ' ' LEU . 8.0 mp -87.19 174.6 8.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.328 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -90.56 -150.75 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -152.91 173.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.48 -157.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.08 151.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.88 27.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 33.8 p -60.78 -46.65 89.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -48.2 -36.89 14.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.41 ' H ' HG23 ' C' ' 56' ' ' VAL . 3.8 t -60.99 -29.15 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.617 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 tp -49.02 -39.31 26.51 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.562 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.9 OUTLIER -59.83 -37.38 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.974 -0.75 . . . . 1.0 108.974 179.281 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.413 HD13 HG12 ' B' ' 107' ' ' VAL . 96.5 mt -77.14 -57.61 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.386 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 13.9 t -46.12 -33.42 3.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.306 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 77.8 p -64.49 -62.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.522 . . . . 1.0 109.775 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.538 ' O ' HG12 ' C' ' 65' ' ' VAL . 16.3 t -62.69 -27.4 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.779 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 25.8 ttp -57.28 -38.49 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.77 -34.8 60.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.092 -0.707 . . . . 1.0 109.092 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.538 HG12 ' O ' ' C' ' 62' ' ' VAL . 0.3 OUTLIER -53.62 -30.93 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.987 179.255 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.519 ' O ' ' N ' ' C' ' 69' ' ' GLU . 45.5 mtt -56.09 -50.01 72.22 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.217 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -24.22 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.617 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' C' ' 66' ' ' MET . 4.1 t -89.02 -27.37 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.116 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' C' ' 66' ' ' MET . 54.7 mt-10 -97.95 -61.69 1.35 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.89 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' C' ' 73' ' ' SER . 54.8 mt -55.14 -61.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -36.5 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.084 -0.646 . . . . 1.0 109.432 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.78 -12.48 60.19 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.499 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.2 m -84.69 -51.65 6.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.793 -0.817 . . . . 1.0 108.793 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.4 77.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.45 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.622 -1.172 . . . . 1.0 109.777 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 80' ' ' ASP . 71.3 tt0 -96.6 -32.29 12.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.83 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -60.04 -52.53 64.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.073 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' C' ' 82' ' ' ILE . 8.0 p -56.02 -37.93 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.816 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' C' ' 78' ' ' VAL . 90.3 t -80.77 -25.59 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.488 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' C' ' 76' ' ' GLU . 35.1 t0 -83.37 -109.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.494 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.79 -55.11 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' C' ' 78' ' ' VAL . 0.2 OUTLIER 71.54 139.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.845 -179.011 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.52 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.38 105.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 1.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.2 90.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.81 -51.71 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' C' ' 89' ' ' LEU . 94.9 m-70 -79.88 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' OD2' ' C' ' 95' ' ' ASP . 28.5 mm-40 -55.24 90.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.3 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.531 ' O ' HD23 ' C' ' 89' ' ' LEU . 0.8 OUTLIER -142.61 -21.26 0.67 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.04 -179.467 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -67.69 55.4 0.06 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 66.75 160.78 1.04 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.87 -23.68 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 1.0 109.711 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' ALA . . . . . 0.41 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -63.37 -51.4 66.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.654 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.42 -34.98 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' ASP . . . . . 0.41 ' OD2' ' OE1' ' C' ' 88' ' ' GLU . 13.6 t0 -44.63 -40.13 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.407 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 44.4 mtt -72.77 -44.79 61.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.225 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.615 ' O ' HG22 ' C' ' 101' ' ' VAL . . . -64.7 -35.19 91.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.69 -30.5 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.279 . . . . 1.0 111.214 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.75 -49.74 5.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.743 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -57.13 -25.63 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.554 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.615 HG22 ' O ' ' C' ' 97' ' ' GLY . 19.2 m -70.25 -55.78 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.061 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.586 ' N ' HG23 ' C' ' 101' ' ' VAL . 4.1 mp -57.64 -49.85 75.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.636 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.486 ' CG2' HG13 ' C' ' 107' ' ' VAL . 4.0 mp -73.82 -26.03 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.722 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -47.38 -43.31 23.24 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.2 -0.6 . . . . 1.0 109.755 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.15 -38.82 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' C' ' 110' ' ' ILE . 76.0 mt -72.88 -64.86 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.342 -0.543 . . . . 1.0 111.456 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.877 HG23 ' H ' ' C' ' 108' ' ' ALA . 16.7 m -47.84 -67.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.786 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.877 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -34.52 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.947 0.403 . . . . 1.0 111.184 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' C' ' 107' ' ' VAL . 96.9 t -93.17 -80.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.649 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 110' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' C' ' 106' ' ' ILE . 72.5 mt -46.34 -35.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.031 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 21.8 m -58.37 -52.71 64.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.625 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.49 -29.6 69.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.51 -59.04 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.359 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 13.2 pt -60.26 -39.26 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.836 0.35 . . . . 1.0 110.318 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.47 -42.31 78.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 1.0 109.984 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.87 -45.33 78.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.539 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -56.35 -21.11 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 1.0 110.157 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.75 -26.98 67.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -62.49 -47.05 85.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.839 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.33 114.1 26.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.935 0.398 . . . . 1.0 110.537 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 118.014 -1.437 . . . . 1.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 1.0 110.738 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.34 -13.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.98 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.613 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.28 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.629 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -78.91 2.92 18.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.478 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.91 -21.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.593 . . . . 1.0 111.598 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' ALA . 38.8 p90 -91.28 -41.69 10.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.214 0.531 . . . . 1.0 110.213 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 18.5 ttt85 -75.99 -22.28 56.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.401 -0.818 . . . . 1.0 109.498 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -58.2 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.47 -0.937 . . . . 1.0 108.47 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.09 -18.94 0.95 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.34 -0.846 . . . . 1.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.6 -58.79 1.79 Allowed Glycine 0 CA--C 1.531 1.086 0 C-N-CA 121.238 -0.506 . . . . 1.0 112.681 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.1 -33.38 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 117.172 0.486 . . . . 1.0 111.082 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -55.7 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 2.0 t -37.15 -19.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 37' ' ' ALA . 10.6 mt -89.49 -48.94 6.98 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 37' ' ' ALA . 39.0 mt -70.49 -40.37 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.47 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.432 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 4.7 p -96.87 -38.5 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 120.946 -0.302 . . . . 1.0 111.591 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 44' ' ' ILE . 9.3 p -60.72 -45.14 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.211 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 45' ' ' ALA . 17.1 tt -65.36 -47.03 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.188 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.15 -46.6 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.667 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.43 -172.12 2.83 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.356 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.18 0.43 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.3 m -151.58 167.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.331 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 52' ' ' ALA . 31.2 t0 -164.29 -137.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -52.3 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.564 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -154.51 20.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.799 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.92 -33.84 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.792 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -57.08 -40.72 77.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ILE . 67.0 t -47.69 -40.56 7.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.647 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 tp -49.24 -51.39 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.077 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.19 -43.25 70.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.254 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' MET . 12.9 mm -73.0 -55.31 13.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.208 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.9 m -49.36 -46.27 46.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.298 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -64.41 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.974 0.416 . . . . 1.0 110.467 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.5 -27.78 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.698 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' ILE . 31.5 ttm -60.37 -31.63 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.048 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -43.27 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.742 -0.836 . . . . 1.0 108.742 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.83 -31.44 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.196 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 70' ' ' ILE . 32.8 mtt -61.19 -34.85 75.74 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.688 -0.405 . . . . 1.0 109.978 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.13 -49.02 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 m -81.8 -21.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.381 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -92.56 -69.96 0.72 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 73' ' ' SER . 18.8 mt -57.1 -65.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.628 -0.429 . . . . 1.0 110.183 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.32 -40.57 11.98 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.679 -178.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 10.0 t-20 -58.35 -4.8 0.42 Allowed 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 m -90.14 -46.27 8.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' B' ' 75' ' ' ILE . . . -61.84 -51.38 68.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.382 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' C' ' 74' ' ' ALA . 10.3 pt -66.78 -16.61 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 51.0 mm-40 -93.68 -28.66 15.84 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.582 -0.896 . . . . 1.0 108.582 177.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -64.15 -46.26 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.387 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.94 -45.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 79' ' ' VAL . 3.3 p -86.83 -26.11 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.691 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' GLU . 28.9 t70 -80.24 -98.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.519 0.563 . . . . 1.0 112.519 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 15.4 mmm180 -96.69 -16.25 21.02 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.058 0.392 . . . . 1.0 112.058 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt 34.95 96.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.009 0.433 . . . . 1.0 111.577 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -84.83 -39.04 8.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' GLY . 11.6 t 47.54 98.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 1.0 110.621 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.84 169.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.28 -15.05 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -55.46 -25.23 35.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.066 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.82 106.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.138 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.3 tp -174.43 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.5 p -70.75 32.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.284 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.9 170.57 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.7 -21.41 25.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.085 0.469 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.62 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.61 -30.77 70.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.599 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.32 4.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.722 0.296 . . . . 1.0 111.084 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 mtt -71.93 -45.95 59.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.001 0.429 . . . . 1.0 109.976 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . . . -63.52 -37.02 94.13 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.0 m -48.28 -30.94 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 1.0 110.654 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.26 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.493 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.744 HG23 ' H ' ' A' ' 102' ' ' LEU . 20.9 m -67.05 -60.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.246 -0.582 . . . . 1.0 109.49 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.744 ' H ' HG23 ' A' ' 101' ' ' VAL . 14.1 mt -53.57 -49.97 66.57 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.165 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.754 ' O ' HG22 ' A' ' 107' ' ' VAL . 16.9 mt -64.84 -24.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.278 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -41.27 -48.18 3.53 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.057 0.455 . . . . 1.0 110.601 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.7 mt -62.44 -38.9 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.089 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 103' ' ' ILE . 15.1 mt -74.05 -62.49 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.593 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -48.47 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.903 -178.609 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.2 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.864 0.364 . . . . 1.0 111.867 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.1 t -89.76 -77.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.084 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.73 -27.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 1.0 110.906 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 97.0 m -59.57 -47.71 84.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.19 58.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.67 -58.01 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.932 -0.307 . . . . 1.0 111.161 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 115' ' ' LEU . 3.3 tp -60.05 -43.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.701 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 114' ' ' ILE . 76.8 mt -60.81 -41.39 95.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.308 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 11.1 tp -62.44 -46.6 87.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.96 -28.0 67.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.679 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.5 m -65.16 -38.24 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.089 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 120' ' ' PHE . 1.8 p-80 -76.51 -43.81 37.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.471 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 36.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.643 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' B' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 1.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -57.24 -13.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.531 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.97 -61.74 2.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.574 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.25 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -78.9 2.91 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.8 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.516 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' ALA . 38.9 p90 -91.31 -41.74 10.76 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.15 0.5 . . . . 1.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' ALA . 18.4 ttt85 -75.98 -22.21 56.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.494 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -58.25 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.523 -0.917 . . . . 1.0 108.523 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.06 -18.91 0.91 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.31 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.66 -58.78 1.78 Allowed Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.241 -0.504 . . . . 1.0 112.698 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -50.05 -33.46 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 117.172 0.486 . . . . 1.0 111.042 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -55.58 -62.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.979 -0.749 . . . . 1.0 108.979 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' B' ' 42' ' ' VAL . 2.0 t -37.12 -19.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.382 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' B' ' 37' ' ' ALA . 10.6 mt -89.47 -49.0 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.811 -0.811 . . . . 1.0 108.811 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 37' ' ' ALA . 38.2 mt -70.42 -40.33 73.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.82 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.65 62.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.402 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' B' ' 38' ' ' VAL . 4.7 p -96.79 -38.56 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.949 -0.3 . . . . 1.0 111.619 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.523 HG13 ' N ' ' B' ' 44' ' ' ILE . 9.3 p -60.73 -45.1 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.158 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.56 HG23 ' N ' ' B' ' 45' ' ' ALA . 17.2 tt -65.52 -46.89 88.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.918 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.56 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -59.76 -28.96 67.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.208 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.29 -46.52 73.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.661 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -63.67 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.132 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -93.34 -172.14 2.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.433 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -155.16 0.43 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.66 167.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 52' ' ' ALA . 31.4 t0 -164.29 -137.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' B' ' 51' ' ' ASP . . . -52.39 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -154.46 21.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.841 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -40.06 -33.76 0.24 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.934 0.397 . . . . 1.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -57.05 -40.8 77.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.796 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 53' ' ' ILE . 67.3 t -47.65 -40.53 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.66 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.21 -51.42 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.18 -43.22 70.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.271 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 63' ' ' MET . 12.9 mm -72.99 -55.35 13.09 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.176 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -49.38 -46.31 47.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.248 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -64.28 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 1.0 110.539 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.53 -27.76 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' B' ' 59' ' ' ILE . 31.5 ttm -60.4 -31.56 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.992 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.82 -43.28 80.86 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.75 -31.55 52.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.198 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.0 mtt -61.04 -35.04 75.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.627 -0.429 . . . . 1.0 109.969 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.95 -49.04 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 m -81.78 -21.54 10.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.359 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.43 -70.14 0.71 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.982 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 73' ' ' SER . 18.6 mt -57.02 -65.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.211 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 73' ' ' SER . 0.1 OUTLIER -46.43 -40.5 12.33 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.71 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' B' ' 76' ' ' GLU . 9.8 t-20 -58.41 -4.74 0.42 Allowed 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.5 m -90.23 -46.25 8.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.546 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.476 ' HB1' HG21 ' C' ' 75' ' ' ILE . . . -61.85 -51.31 68.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.331 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.479 HG21 ' HB1' ' A' ' 74' ' ' ALA . 10.3 pt -66.91 -16.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.224 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' B' ' 72' ' ' ASN . 51.3 mm-40 -93.64 -28.68 15.85 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 82' ' ' ILE . . . -64.21 -46.21 84.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.354 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.99 -45.1 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.636 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG12 ' B' ' 79' ' ' VAL . 3.3 p -86.87 -26.03 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.705 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 76' ' ' GLU . 29.0 t70 -80.35 -98.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.526 0.565 . . . . 1.0 112.526 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 82' ' ' ILE . 15.4 mmm180 -96.65 -16.17 21.11 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.098 0.407 . . . . 1.0 112.098 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' B' ' 77' ' ' ALA . 3.8 tt 34.83 96.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.085 0.469 . . . . 1.0 111.488 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -84.91 -38.94 8.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 83' ' ' GLY . 11.7 t 47.57 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 1.0 110.655 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.95 169.3 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 1.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.34 -15.04 47.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.658 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -55.43 -25.24 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.061 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.87 106.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.081 -0.34 . . . . 1.0 110.081 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.3 tp -174.61 -51.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 91' ' ' GLY . 20.6 p -70.94 32.2 0.04 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.219 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.84 170.51 0.04 OUTLIER Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.62 -21.38 25.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.144 0.497 . . . . 1.0 110.159 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -51.74 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.709 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.57 -30.8 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.566 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.34 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.741 0.305 . . . . 1.0 111.187 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.8 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 1.0 110.019 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.662 ' O ' HG13 ' B' ' 101' ' ' VAL . . . -63.67 -36.98 94.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -48.18 -30.94 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 1.0 110.687 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.29 -50.78 5.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.784 -0.451 . . . . 1.0 109.784 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.27 -25.45 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.47 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.733 HG23 ' H ' ' B' ' 102' ' ' LEU . 21.5 m -66.87 -60.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.549 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.733 ' H ' HG23 ' B' ' 101' ' ' VAL . 13.8 mt -53.71 -49.94 66.99 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.188 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' B' ' 107' ' ' VAL . 16.6 mt -64.82 -24.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.324 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -41.32 -48.3 3.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.113 0.482 . . . . 1.0 110.554 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 109' ' ' VAL . 83.9 mt -62.29 -38.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.091 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' B' ' 103' ' ' ILE . 14.8 mt -74.04 -62.54 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.576 -0.45 . . . . 1.0 111.569 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.775 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.4 OUTLIER -48.41 -75.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 120.706 -0.397 . . . . 1.0 110.857 -178.631 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.683 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.23 -33.05 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.845 0.355 . . . . 1.0 111.759 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.1 t -89.78 -77.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.019 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.63 -27.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.325 . . . . 1.0 110.928 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 96.8 m -59.62 -47.7 84.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.18 58.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.71 -58.03 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.489 HG23 ' N ' ' B' ' 115' ' ' LEU . 3.3 tp -59.95 -43.33 92.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.685 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.489 ' N ' HG23 ' B' ' 114' ' ' ILE . 75.8 mt -60.84 -41.38 95.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 1.0 110.315 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 11.0 tp -62.38 -46.56 88.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.233 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.0 -27.95 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 69.1 m -65.23 -38.25 89.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.075 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' B' ' 120' ' ' PHE . 1.8 p-80 -76.37 -43.95 38.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 1.0 110.523 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' B' ' 119' ' ' HIS . 36.3 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.695 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.829 0.347 . . . . 1.0 110.765 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.26 -13.83 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.59 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.99 -61.7 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.623 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.83 -27.26 2.11 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -79.0 2.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.437 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.9 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.516 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' C' ' 29' ' ' ALA . 38.7 p90 -91.19 -41.72 10.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.245 0.545 . . . . 1.0 110.238 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 29' ' ' ALA . 18.5 ttt85 -76.02 -22.16 56.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.507 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -58.23 -64.85 0.77 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.516 -0.92 . . . . 1.0 108.516 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.14 -18.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.32 -0.854 . . . . 1.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.71 -58.76 1.78 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 121.249 -0.5 . . . . 1.0 112.697 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.09 -33.41 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 117.142 0.471 . . . . 1.0 111.06 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -55.67 -62.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.981 -0.748 . . . . 1.0 108.981 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' C' ' 42' ' ' VAL . 2.0 t -37.2 -19.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.745 -0.661 . . . . 1.0 111.328 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' C' ' 37' ' ' ALA . 10.7 mt -89.53 -48.87 7.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' C' ' 37' ' ' ALA . 38.6 mt -70.52 -40.31 73.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.727 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.54 62.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.486 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' C' ' 38' ' ' VAL . 4.7 p -96.74 -38.6 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.643 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.517 HG13 ' N ' ' C' ' 44' ' ' ILE . 9.5 p -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.182 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.595 HG23 ' N ' ' C' ' 45' ' ' ALA . 17.1 tt -65.38 -47.07 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.919 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.595 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -59.66 -29.06 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 24.2 t -67.16 -46.66 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.713 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -63.67 -38.4 90.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.104 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.42 -172.15 2.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.372 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.22 0.43 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.704 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 32.4 m -151.61 167.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' C' ' 52' ' ' ALA . 31.2 t0 -164.28 -137.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.654 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.492 ' N ' ' OD1' ' C' ' 51' ' ' ASP . . . -52.26 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.1 OUTLIER -154.52 21.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.795 -179.828 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.94 -33.81 0.24 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.891 0.376 . . . . 1.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -57.12 -40.72 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.846 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' C' ' 53' ' ' ILE . 67.9 t -47.63 -40.61 7.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.683 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.19 -51.4 32.98 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.15 -43.28 70.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.21 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' C' ' 63' ' ' MET . 12.9 mm -72.96 -55.33 13.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.218 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 73.7 m -49.43 -46.31 47.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -64.31 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.439 . . . . 1.0 110.512 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -58.55 -27.7 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.672 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.429 ' N ' ' O ' ' C' ' 59' ' ' ILE . 31.5 ttm -60.52 -31.52 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.967 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.82 -43.21 80.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.675 -0.861 . . . . 1.0 108.675 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 t -67.82 -31.44 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.258 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' C' ' 70' ' ' ILE . 32.9 mtt -61.12 -34.88 75.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.027 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 mm -53.04 -49.11 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.413 ' H ' HG22 ' C' ' 68' ' ' VAL . 24.4 m -81.73 -21.61 10.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.31 -70.06 0.71 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.674 -0.411 . . . . 1.0 111.062 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' C' ' 73' ' ' SER . 18.5 mt -57.1 -65.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' C' ' 73' ' ' SER . 0.1 OUTLIER -46.36 -40.51 12.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.715 -178.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' C' ' 76' ' ' GLU . 9.9 t-20 -58.52 -4.66 0.43 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.506 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.6 m -90.24 -46.28 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.536 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' ALA . . . . . 0.482 ' HB1' HG21 ' A' ' 75' ' ' ILE . . . -61.8 -51.26 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.432 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.476 HG21 ' HB1' ' B' ' 74' ' ' ALA . 10.3 pt -66.86 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.204 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' C' ' 72' ' ' ASN . 51.0 mm-40 -93.5 -28.77 15.89 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 108.662 -0.866 . . . . 1.0 108.662 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -64.11 -46.27 84.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.345 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.96 -45.12 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.78 -26.08 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.665 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' C' ' 76' ' ' GLU . 28.8 t70 -80.39 -98.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 15.4 mmm180 -96.66 -16.24 21.06 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 77' ' ' ALA . 3.8 tt 34.98 96.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.024 0.44 . . . . 1.0 111.542 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -84.81 -39.01 8.96 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 83' ' ' GLY . 11.9 t 47.45 98.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -60.84 169.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -84.33 -15.04 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -55.43 -25.29 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.981 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.89 106.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.073 -0.343 . . . . 1.0 110.073 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.3 tp -174.43 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' GLY . 20.4 p -70.84 32.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.257 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.85 170.53 0.04 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.664 -0.974 . . . . 1.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.65 -21.35 25.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.043 0.449 . . . . 1.0 110.146 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.59 60.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.708 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.68 -30.75 70.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.577 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 55.3 m-20 -43.62 -40.36 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.717 0.294 . . . . 1.0 111.126 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.84 59.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.0 109.995 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.671 ' O ' HG13 ' C' ' 101' ' ' VAL . . . -63.68 -36.97 94.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 49.4 m -48.29 -30.91 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.925 0.393 . . . . 1.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.22 -50.93 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.761 -0.459 . . . . 1.0 109.761 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.12 -25.43 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.548 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.726 HG23 ' H ' ' C' ' 102' ' ' LEU . 21.2 m -66.95 -60.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.515 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.726 ' H ' HG23 ' C' ' 101' ' ' VAL . 12.7 mt -53.86 -49.85 67.57 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.945 -0.702 . . . . 1.0 110.15 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.772 ' O ' HG22 ' C' ' 107' ' ' VAL . 16.8 mt -64.75 -24.34 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.282 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.37 -48.18 3.68 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.988 0.423 . . . . 1.0 110.521 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.463 ' O ' HG23 ' C' ' 109' ' ' VAL . 84.1 mt -62.36 -38.95 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 103' ' ' ILE . 15.2 mt -74.06 -62.4 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 120.461 -0.495 . . . . 1.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.772 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.4 OUTLIER -48.48 -75.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.865 -178.652 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.689 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.25 -33.0 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.866 0.365 . . . . 1.0 111.826 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.5 t -89.85 -77.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.69 -27.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.713 0.292 . . . . 1.0 110.884 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 97.0 m -59.56 -47.67 84.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -75.43 -26.13 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.73 -58.12 7.12 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.504 HG23 ' N ' ' C' ' 115' ' ' LEU . 3.4 tp -59.95 -43.32 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.615 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.504 ' N ' HG23 ' C' ' 114' ' ' ILE . 76.3 mt -60.88 -41.27 95.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 1.0 110.351 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.431 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 11.0 tp -62.42 -46.57 87.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.185 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -68.02 -27.87 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 69.3 m -65.28 -38.2 89.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.13 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' C' ' 120' ' ' PHE . 1.9 p-80 -76.52 -43.87 37.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.479 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' C' ' 119' ' ' HIS . 36.2 t80 -45.28 146.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.956 -1.469 . . . . 1.0 110.918 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 pt -60.62 -16.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.19 42.49 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.67 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.08 0.467 . . . . 1.0 110.763 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.168 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.509 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 32' ' ' ARG . 55.8 p90 -90.43 -45.38 9.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.019 0.437 . . . . 1.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.548 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 27.6 ttm-85 -63.69 -27.53 69.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.771 -0.649 . . . . 1.0 109.98 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 35' ' ' GLY . 27.4 mt-30 -59.61 -60.99 2.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.36 -26.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.0 111.25 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -94.68 -45.93 3.06 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.518 -0.633 . . . . 1.0 111.518 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -44.17 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 122.669 -0.313 . . . . 1.0 111.06 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -61.12 -70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 1.0 110.22 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.3 m -40.41 -19.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.019 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.72 -55.79 3.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.4 tp -59.77 -33.54 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.033 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.07 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.92 -1.036 . . . . 1.0 110.593 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' VAL . 46.1 t -91.26 -40.22 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.03 -48.8 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.657 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.08 -46.5 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.93 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.57 74.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.26 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -60.01 -51.76 68.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.52 -32.87 65.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.288 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.92 110.13 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 1.0 110.643 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.77 37.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.951 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' ALA . 27.9 p30 -106.21 157.71 17.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.911 0.386 . . . . 1.0 110.135 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -60.63 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.193 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.569 HG21 HG23 ' B' ' 53' ' ' ILE . 8.5 tt -176.69 -11.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.26 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' LEU . 20.9 m -43.32 -46.87 6.57 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.715 0.293 . . . . 1.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -39.72 19.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' ILE . 24.7 t -60.48 -29.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.622 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' THR . 39.4 tp -47.56 -43.84 25.63 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.14 -38.29 68.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 63' ' ' MET . 68.1 mt -77.76 -54.97 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.029 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 m -44.08 -39.9 4.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.68 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 p -64.0 -45.72 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.765 -0.828 . . . . 1.0 108.765 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ILE . 99.4 t -69.66 -26.99 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.05 -0.977 . . . . 1.0 110.412 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' ILE . 23.1 ttt -57.34 -38.56 74.31 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.7 -35.9 81.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.55 -41.09 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.284 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.2 mtt -54.25 -36.14 63.26 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.9 -24.7 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 120.069 -0.653 . . . . 1.0 109.284 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.16 -27.88 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.773 0.321 . . . . 1.0 111.236 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.79 -57.2 2.35 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.124 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' SER . 45.4 mm -59.54 -58.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 73' ' ' SER . 3.9 tt -46.09 -43.62 14.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.89 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -54.47 -9.82 0.35 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.382 0.611 . . . . 1.0 109.835 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -89.61 -49.11 6.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.624 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.21 70.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.949 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -63.94 -15.51 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.461 -0.79 . . . . 1.0 109.67 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' ASP . 58.5 tt0 -93.48 -29.3 15.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.71 -51.05 68.68 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.047 -0.978 . . . . 1.0 110.776 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 78' ' ' VAL . 5.6 m -54.89 -41.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.658 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 79' ' ' VAL . 7.6 m -84.69 -26.23 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.333 -0.547 . . . . 1.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 76' ' ' GLU . 7.5 m-20 -82.48 -106.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.879 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -104.69 -54.91 2.43 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.051 0.389 . . . . 1.0 112.051 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.51 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.03 -99.32 2.55 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.3 m 50.57 42.45 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 1.0 110.693 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -57.56 -73.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 54.8 t80 -85.38 -15.0 44.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.011 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 53.4 t-80 -54.88 -62.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.005 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.48 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 87' ' ' HIS . 8.2 tp -172.03 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.9 m -71.51 19.32 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.98 169.29 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.475 -1.05 . . . . 1.0 110.475 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.01 -21.37 24.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.164 0.507 . . . . 1.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.7 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.649 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.56 -27.7 67.17 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.35 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.072 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.4 mtt -75.03 -47.08 30.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.88 -36.99 93.75 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 m -48.82 -33.82 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.77 0.319 . . . . 1.0 110.774 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.97 -52.95 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.23 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.307 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 97' ' ' GLY . 16.8 t -67.59 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.55 -47.24 66.88 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.16 0.505 . . . . 1.0 110.064 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 107' ' ' VAL . 13.2 mm -73.4 -21.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.48 4.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.397 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.9 tt -68.84 -40.01 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.855 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' ILE . 96.4 mt -71.89 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.848 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.618 HG12 ' N ' ' A' ' 108' ' ' ALA . 1.8 t -49.26 -72.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.828 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.618 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -33.73 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.831 0.348 . . . . 1.0 111.741 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.8 t -93.66 -75.35 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.957 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.6 mp -45.69 -42.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.603 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.48 -41.01 88.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.549 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 1.0 110.215 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.83 -57.82 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.828 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 115' ' ' LEU . 10.4 tp -63.11 -40.5 89.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.76 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.4 tp -56.81 -31.77 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -71.68 -40.28 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.976 179.602 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -59.62 -22.01 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.2 -32.51 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.7 t80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.395 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -60.64 -16.76 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.719 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.16 42.48 1.36 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.376 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' B' ' 30' ' ' ALA . 70.0 tt0 179.71 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.041 0.448 . . . . 1.0 110.72 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.2 5.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -38.43 -31.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.482 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' B' ' 32' ' ' ARG . 56.1 p90 -90.43 -45.44 8.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.976 0.417 . . . . 1.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.555 ' N ' ' CD2' ' B' ' 31' ' ' PHE . 27.5 ttm-85 -63.57 -27.68 69.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' B' ' 35' ' ' GLY . 27.4 mt-30 -59.46 -61.04 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.51 -26.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -94.75 -45.88 3.05 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.515 -0.634 . . . . 1.0 111.515 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.08 -44.13 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 122.752 -0.263 . . . . 1.0 111.029 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -61.23 -70.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 1.0 110.08 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.547 ' O ' HG23 ' B' ' 42' ' ' VAL . 18.3 m -40.51 -18.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.01 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.84 -55.74 3.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.4 tp -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.034 -0.984 . . . . 1.0 110.048 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.8 -23.05 64.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.588 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 38' ' ' VAL . 45.6 t -91.26 -40.18 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.04 -48.86 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.61 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.03 -46.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.877 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.6 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.99 -51.72 68.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.56 -32.9 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.244 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.248 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.97 110.14 3.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.73 37.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.992 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 52' ' ' ALA . 27.7 p30 -106.16 157.77 17.32 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.958 0.408 . . . . 1.0 110.099 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -60.7 -125.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.242 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.569 HG23 HG21 ' A' ' 53' ' ' ILE . 8.5 tt -176.67 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.651 -0.25 . . . . 1.0 111.287 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 57' ' ' LEU . 20.8 m -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.334 -0.099 0 O-C-N 122.192 -0.317 . . . . 1.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -39.74 18.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.949 0.404 . . . . 1.0 109.968 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 59' ' ' ILE . 24.5 t -60.48 -29.41 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.624 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 54' ' ' THR . 38.9 tp -47.46 -43.78 24.52 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 62' ' ' VAL . 18.9 mt -55.22 -38.33 68.29 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' B' ' 63' ' ' MET . 66.2 mt -77.74 -54.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.081 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.5 m -44.06 -39.94 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.629 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.6 p -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.668 -0.864 . . . . 1.0 108.668 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 59' ' ' ILE . 97.7 t -69.49 -27.04 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.463 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.467 ' N ' ' O ' ' B' ' 59' ' ' ILE . 23.4 ttt -57.41 -38.56 74.52 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.58 -35.96 81.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.53 -41.11 87.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.313 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.1 mtt -54.28 -36.17 63.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.472 -0.566 . . . . 1.0 109.472 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.86 -24.71 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.044 -0.662 . . . . 1.0 109.317 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.18 -27.84 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 120.747 0.308 . . . . 1.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -96.86 -57.05 2.38 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.139 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.8 mm -59.67 -58.79 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' B' ' 73' ' ' SER . 3.9 tt -46.15 -43.73 15.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.43 -0.508 . . . . 1.0 109.766 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -54.37 -9.81 0.33 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.315 0.578 . . . . 1.0 109.95 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 3.6 t -89.66 -49.06 6.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.608 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.34 69.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.84 -15.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.729 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 58.1 tt0 -93.5 -29.26 15.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.665 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 m -54.85 -41.19 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.553 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 8.0 m -84.56 -26.27 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.517 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 7.5 m-20 -82.42 -106.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.097 -0.641 . . . . 1.0 110.89 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -104.63 -54.95 2.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.48 140.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.04 -99.3 2.55 Favored Glycine 0 N--CA 1.467 0.713 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 65.3 m 50.56 42.41 26.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 1.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.54 -73.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.113 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 54.7 t80 -85.31 -14.97 44.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 89' ' ' LEU . 53.4 t-80 -54.82 -62.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.021 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -47.58 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.482 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 87' ' ' HIS . 8.2 tp -172.03 -51.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.3 m -71.48 19.37 0.06 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 111.025 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.0 169.26 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' B' ' 92' ' ' ARG . 29.7 ptt-85 -88.03 -21.28 24.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 1.0 109.892 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.64 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.673 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.7 -27.54 66.92 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -43.55 -40.89 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.069 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.11 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.581 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.93 -37.01 93.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.7 m -48.77 -33.9 11.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.721 0.296 . . . . 1.0 110.744 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.93 -52.94 4.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.7 -22.15 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.307 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 97' ' ' GLY . 16.9 t -67.62 -58.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.427 -0.582 . . . . 1.0 109.427 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.36 -47.29 66.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.187 0.518 . . . . 1.0 110.116 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.543 HG22 HG23 ' B' ' 107' ' ' VAL . 13.1 mm -73.38 -21.34 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.656 -0.417 . . . . 1.0 111.172 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.42 -45.42 4.36 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.51 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 109' ' ' VAL . 12.9 tt -68.79 -40.07 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 109.874 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 110' ' ' ILE . 96.4 mt -71.87 -63.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.73 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 108' ' ' ALA . 1.8 t -49.33 -72.76 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.233 -0.439 . . . . 1.0 109.91 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.6 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -33.86 -34.65 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 111.721 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.7 t -93.61 -75.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.042 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.519 HD12 ' N ' ' B' ' 110' ' ' ILE . 1.6 mp -45.71 -42.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.613 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.56 -41.02 89.19 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.33 -28.58 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.997 0.427 . . . . 1.0 110.25 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.88 -57.84 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.763 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.472 HG23 ' N ' ' B' ' 115' ' ' LEU . 10.4 tp -63.09 -40.41 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.806 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.472 ' N ' HG23 ' B' ' 114' ' ' ILE . 10.4 tp -56.91 -31.66 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 1.0 109.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.556 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -71.6 -40.34 69.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.953 179.564 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -59.76 -21.88 61.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.357 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' SER . . . . . 0.402 ' OG ' ' OD2' ' C' ' 51' ' ' ASP . 7.1 m -70.27 -32.43 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -41.99 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.407 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.62 -16.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.76 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.23 42.5 1.36 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.363 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.61 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.734 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.26 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.219 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.527 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' C' ' 32' ' ' ARG . 55.7 p90 -90.45 -45.52 8.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.973 0.416 . . . . 1.0 110.821 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' C' ' 31' ' ' PHE . 27.4 ttm-85 -63.52 -27.71 69.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.96 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' C' ' 35' ' ' GLY . 27.5 mt-30 -59.52 -61.06 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.16 -0.682 . . . . 1.0 109.16 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -40.39 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.305 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.74 -46.01 3.02 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 111.399 -0.68 . . . . 1.0 111.399 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 32' ' ' ARG . 55.9 t -56.02 -44.14 77.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 O-C-N 122.688 -0.301 . . . . 1.0 111.042 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -61.13 -70.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 1.0 110.138 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.539 ' O ' HG23 ' C' ' 42' ' ' VAL . 18.0 m -40.41 -19.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.698 . . . . 1.0 110.999 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.79 -55.82 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.4 tp -59.59 -33.67 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.028 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -23.05 64.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.539 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' C' ' 38' ' ' VAL . 45.9 t -91.25 -40.13 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.964 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.94 -48.95 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 1.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.05 -46.49 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.908 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.57 74.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.99 -51.82 68.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -56.35 -32.96 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.292 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.9 128.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.274 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.89 110.11 3.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.72 37.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.984 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' C' ' 52' ' ' ALA . 27.8 p30 -106.14 157.75 17.32 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.902 0.382 . . . . 1.0 110.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -60.71 -125.48 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.169 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.566 HG23 HG21 ' B' ' 53' ' ' ILE . 8.5 tt -176.71 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.232 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 20.9 m -43.34 -46.89 6.63 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-O 120.727 0.299 . . . . 1.0 111.226 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -39.77 18.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.917 0.389 . . . . 1.0 109.977 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' C' ' 59' ' ' ILE . 24.4 t -60.5 -29.33 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.59 -43.79 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.86 -0.422 . . . . 1.0 109.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.13 -38.37 68.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' C' ' 63' ' ' MET . 67.9 mt -77.68 -55.07 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.637 -0.71 . . . . 1.0 110.035 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 18.1 m -43.97 -40.02 4.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.661 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 16.9 p -63.97 -45.63 88.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' C' ' 59' ' ' ILE . 98.5 t -69.67 -27.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.453 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.447 ' N ' ' O ' ' C' ' 59' ' ' ILE . 23.1 ttt -57.3 -38.73 74.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.46 -36.02 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.57 -40.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.323 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.482 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.1 mtt -54.37 -36.18 63.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 67' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 73.4 mt -59.78 -24.73 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.056 -0.658 . . . . 1.0 109.327 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.12 -27.89 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.709 0.29 . . . . 1.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -96.82 -57.09 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.172 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' C' ' 66' ' ' MET . 45.0 mm -59.59 -58.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' C' ' 73' ' ' SER . 3.9 tt -46.07 -43.84 14.96 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.4 -0.52 . . . . 1.0 109.771 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -54.37 -9.79 0.33 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.356 0.598 . . . . 1.0 109.915 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.477 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.5 t -89.65 -49.12 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.34 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.991 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.86 -15.53 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.705 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' C' ' 80' ' ' ASP . 57.8 tt0 -93.48 -29.28 15.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.884 -1.154 . . . . 1.0 107.884 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.999 -1.001 . . . . 1.0 110.704 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 78' ' ' VAL . . . . . 0.405 HG22 ' H ' ' C' ' 78' ' ' VAL . 5.4 m -54.89 -41.1 55.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.606 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 m -84.65 -26.22 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.469 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' C' ' 76' ' ' GLU . 7.5 m-20 -82.44 -106.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.106 -0.638 . . . . 1.0 110.912 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -104.56 -54.99 2.42 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.093 0.405 . . . . 1.0 112.093 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.53 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.01 -99.3 2.54 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 64.1 m 50.63 42.41 26.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.771 0.319 . . . . 1.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.61 -73.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.082 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 55.0 t80 -85.41 -14.98 44.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' C' ' 89' ' ' LEU . 53.5 t-80 -54.86 -62.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.001 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.52 89.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.937 -0.305 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' C' ' 87' ' ' HIS . 8.3 tp -172.07 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -71.46 19.36 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.934 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.94 169.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.53 -1.028 . . . . 1.0 110.53 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -88.01 -21.42 24.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 1.0 109.817 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.7 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.668 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -67.68 -27.63 67.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.41 -41.0 4.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.067 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.04 31.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.578 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.92 -36.94 93.68 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.6 m -48.91 -33.79 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.315 . . . . 1.0 110.725 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.98 4.33 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 1.0 109.788 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -22.11 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 97' ' ' GLY . 16.8 t -67.72 -58.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 -47.36 66.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.112 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' C' ' 107' ' ' VAL . 13.1 mm -73.28 -21.41 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.24 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.34 -45.43 4.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.595 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.439 ' O ' HG23 ' C' ' 109' ' ' VAL . 12.8 tt -68.77 -40.06 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.919 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' C' ' 110' ' ' ILE . 96.4 mt -71.96 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.61 HG12 ' N ' ' C' ' 108' ' ' ALA . 1.8 t -49.3 -72.84 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.61 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -33.83 -34.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.814 0.34 . . . . 1.0 111.745 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' C' ' 107' ' ' VAL . 43.7 t -93.57 -75.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.041 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 110' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 110' ' ' ILE . 1.6 mp -45.79 -41.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.562 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.55 -41.06 89.24 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.477 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.34 -28.53 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.257 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.94 -57.75 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.802 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.475 HG23 ' N ' ' C' ' 115' ' ' LEU . 10.4 tp -63.15 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.806 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.475 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.4 tp -56.9 -31.76 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.534 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -71.57 -40.34 70.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.019 179.57 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -59.72 -22.01 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.1 -32.46 70.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.48 -41.92 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -154.99 143.5 20.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.988 -1.451 . . . . 1.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.873 0.368 . . . . 1.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 101' ' ' VAL . 41.2 pt -83.43 -28.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -107.56 42.81 1.27 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.352 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' ALA . 64.9 tt0 -179.69 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.548 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -63.38 4.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.221 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -37.01 -38.89 0.2 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.86 0.362 . . . . 1.0 111.166 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -64.83 -51.67 60.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 1.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ALA . 72.5 mtt180 -58.67 -38.17 77.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.344 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.05 -8.86 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.445 . . . . 1.0 110.637 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 mm-40 -107.95 -45.28 4.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.867 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -53.76 20.65 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 108.829 -1.708 . . . . 1.0 108.829 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.2 t -56.82 -39.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.31 -7.03 0.49 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.755 0.312 . . . . 1.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' B' ' 64' ' ' LEU . 3.1 t -100.47 -16.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.571 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.655 0.264 . . . . 1.0 110.843 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.1 mp -58.9 -42.98 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.87 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.03 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.447 0.536 . . . . 1.0 112.447 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 38' ' ' VAL . 5.0 m -94.23 -38.15 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 112.089 0.403 . . . . 1.0 112.089 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' LEU . 54.1 t -59.8 -46.31 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.695 0.283 . . . . 1.0 110.84 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.1 -46.29 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 1.0 110.851 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.7 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.726 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.8 t -63.05 -56.49 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.146 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.92 -56.81 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.93 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' C' ' 119' ' ' HIS . 13.2 mt -86.27 -154.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.218 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.23 -161.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 51' ' ' ASP . 7.3 p -157.2 156.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.109 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.5 m-20 -158.24 -141.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -43.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.446 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.867 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.3 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.375 -179.286 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 p -43.92 -27.7 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 1.0 110.057 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.14 92.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.059 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' ILE . 24.7 t -48.25 -40.53 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -49.29 -47.95 46.48 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LEU . 7.6 mp -55.69 -41.12 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.673 ' N ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -76.87 -55.54 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.141 0.495 . . . . 1.0 109.808 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -48.25 -47.88 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.83 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 p -64.69 -64.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 1.0 111.447 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' LEU . 5.0 m -55.48 -24.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.411 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.8 tpp -55.55 -31.28 62.01 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.158 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' C' ' 38' ' ' VAL . 4.1 mm? -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' C' ' 38' ' ' VAL . 2.1 t -66.01 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 108.8 -0.815 . . . . 1.0 108.8 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.4 mtt -66.99 -35.12 79.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.118 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 45.0 mt -60.13 -34.63 57.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.61 -0.436 . . . . 1.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 3.4 p -90.69 -21.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.823 -0.548 . . . . 1.0 110.269 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.52 -60.91 1.66 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.619 0.247 . . . . 1.0 111.439 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' SER . 17.0 mt -65.32 -58.55 6.53 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.379 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -48.74 -42.82 36.51 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.44 -0.504 . . . . 1.0 109.784 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 29.4 m-20 -64.41 -8.05 12.02 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.436 0.636 . . . . 1.0 109.439 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -91.25 -51.3 5.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.923 179.506 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.64 64.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.764 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.08 -36.25 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 119.686 -0.806 . . . . 1.0 109.208 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 9.6 tm-20 -85.42 -29.36 24.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.942 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.526 ' HB2' ' NH1' ' C' ' 92' ' ' ARG . . . -58.84 -55.02 40.56 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.607 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.89 -30.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.38 -24.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.511 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' GLU . 41.2 t0 -83.17 -111.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.907 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 99.6 mtt180 -104.77 -47.46 4.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.888 0.375 . . . . 1.0 110.961 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.787 ' H ' HD12 ' A' ' 82' ' ' ILE . 2.0 mp -39.48 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.761 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.504 ' N ' HG22 ' A' ' 82' ' ' ILE . . . 123.82 40.81 0.44 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.6 p -141.26 80.95 1.76 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.96 0.41 . . . . 1.0 110.392 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -90.36 116.38 28.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.316 179.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -83.72 -26.3 29.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.506 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 15.7 p80 -84.23 -51.47 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.762 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -42.37 137.42 2.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.81 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -86.53 46.83 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.197 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.36 166.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.287 -0.725 . . . . 1.0 111.287 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' B' ' 77' ' ' ALA . 0.1 OUTLIER -85.92 -21.47 27.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.67 73.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.306 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' GLY . 14.8 ttpp -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.515 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -42.04 -35.54 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.906 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.99 -39.03 94.66 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.93 -29.14 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.793 0.33 . . . . 1.0 110.908 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.3 -47.18 8.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.138 -0.69 . . . . 1.0 109.138 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.687 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.7 -19.95 19.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.17 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 97' ' ' GLY . 36.3 t -72.01 -57.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.563 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 102' ' ' LEU . 3.8 mm? -71.38 -29.23 64.7 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.067 0.461 . . . . 1.0 110.935 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -28.95 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.286 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -56.51 -41.3 76.46 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.656 0.243 . . . . 1.0 111.656 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.6 pt -61.04 -48.13 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.413 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.72 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.151 -0.62 . . . . 1.0 111.116 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 108' ' ' ALA . 3.0 t -81.14 -74.29 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.209 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -37.83 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.465 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 107' ' ' VAL . 27.1 t -94.88 -83.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.323 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -46.14 -32.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 111.627 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.01 -54.1 39.68 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.2 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.26 -24.58 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.38 -57.53 8.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.78 -46.02 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.936 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.0 mp -57.37 -38.69 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.84 -34.38 73.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.877 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -76.25 -25.08 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.121 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -69.88 -37.15 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 115' ' ' LEU . 4.7 m170 -66.46 -46.61 75.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.744 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.88 0.371 . . . . 1.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.612 HG21 HG22 ' A' ' 101' ' ' VAL . 41.3 pt -83.42 -28.57 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.369 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -107.57 42.69 1.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.357 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 30' ' ' ALA . 65.0 tt0 -179.62 -86.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' B' ' 32' ' ' ARG . . . -63.43 4.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.2 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -37.05 -38.81 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.826 0.346 . . . . 1.0 111.187 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -64.96 -51.65 60.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.073 0.463 . . . . 1.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 29' ' ' ALA . 72.4 mtt180 -58.62 -38.2 77.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.364 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -59.99 -8.84 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.03 0.443 . . . . 1.0 110.67 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.493 ' O ' HG23 ' B' ' 38' ' ' VAL . 27.8 mm-40 -107.97 -45.33 4.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 109.89 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.07 -53.79 20.71 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.792 -1.723 . . . . 1.0 108.792 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' B' ' 32' ' ' ARG . 48.1 t -56.7 -39.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.12 -7.07 0.45 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.83 0.347 . . . . 1.0 110.607 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 34' ' ' GLU . 3.1 t -100.48 -16.48 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.631 0.253 . . . . 1.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 ' N ' ' B' ' 40' ' ' LEU . 8.1 mp -58.92 -42.9 90.79 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.898 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.96 85.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.487 0.551 . . . . 1.0 112.487 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.453 HG22 ' O ' ' B' ' 38' ' ' VAL . 5.0 m -94.32 -38.24 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.096 0.406 . . . . 1.0 112.096 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 39' ' ' LEU . 55.0 t -59.75 -46.3 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.992 -0.283 . . . . 1.0 110.834 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.1 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.814 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.82 -39.64 69.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.78 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 32.5 t -63.03 -56.45 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.163 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.94 -56.77 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.953 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 119' ' ' HIS . 13.3 mt -86.3 -154.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.189 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -90.36 -161.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.455 HG22 ' N ' ' B' ' 51' ' ' ASP . 7.3 p -157.12 156.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.455 ' N ' HG22 ' B' ' 50' ' ' VAL . 18.3 m-20 -158.27 -141.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.774 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -42.92 166.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.489 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.878 ' N ' HD13 ' B' ' 53' ' ' ILE . 0.1 OUTLIER -140.33 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.347 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.0 p -43.98 -27.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 1.0 110.084 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.11 -40.15 92.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.047 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 53' ' ' ILE . 24.8 t -48.17 -40.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.424 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -49.51 -47.83 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.286 -0.566 . . . . 1.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.553 HD12 ' N ' ' B' ' 58' ' ' LEU . 7.6 mp -55.7 -41.1 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.077 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' B' ' 59' ' ' ILE . 1.5 mp -76.86 -55.59 10.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.09 0.471 . . . . 1.0 109.789 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.94 34.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.75 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 41.8 p -64.72 -64.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 58' ' ' LEU . 5.0 m -55.43 -24.33 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.436 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 36.2 tpp -55.49 -31.98 62.46 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.498 ' HB2' HG22 ' A' ' 38' ' ' VAL . 4.2 mm? -61.29 -41.55 97.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.68 -0.859 . . . . 1.0 108.68 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.466 HG23 HG11 ' A' ' 38' ' ' VAL . 2.1 t -65.99 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 108.862 -0.792 . . . . 1.0 108.862 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.5 mtt -66.86 -35.03 79.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.099 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' B' ' 71' ' ' LEU . 47.1 mt -60.3 -34.63 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.622 -0.431 . . . . 1.0 109.932 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 3.4 p -90.63 -21.27 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.733 -0.604 . . . . 1.0 110.307 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.57 -61.02 1.63 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.605 0.24 . . . . 1.0 111.456 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 73' ' ' SER . 17.1 mt -65.19 -58.56 6.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.944 -0.302 . . . . 1.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' B' ' 67' ' ' ILE . 0.8 OUTLIER -48.73 -42.8 36.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.861 -179.32 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 29.6 m-20 -64.36 -8.09 11.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.456 0.646 . . . . 1.0 109.483 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.549 ' N ' ' O ' ' B' ' 70' ' ' ILE . 0.7 OUTLIER -91.21 -51.35 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.874 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.63 64.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.758 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.09 -36.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.231 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 80' ' ' ASP . 9.6 tm-20 -85.37 -29.41 24.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.027 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.53 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . . . -58.76 -55.06 39.95 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.617 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 -30.31 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.013 -0.736 . . . . 1.0 109.013 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 83.6 t -82.41 -24.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.192 -0.913 . . . . 1.0 109.514 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' GLU . 41.2 t0 -83.21 -111.57 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.869 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 82' ' ' ILE . 99.6 mtt180 -104.78 -47.42 4.05 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.868 0.366 . . . . 1.0 110.986 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.808 ' H ' HD12 ' B' ' 82' ' ' ILE . 2.0 mp -39.51 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.728 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.514 ' N ' HG22 ' B' ' 82' ' ' ILE . . . 123.69 40.97 0.44 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 88.0 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.951 0.405 . . . . 1.0 110.363 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 0.8 OUTLIER -90.39 116.35 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.258 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.7 -26.27 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.385 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' B' ' 87' ' ' HIS . 15.6 p80 -84.29 -51.36 7.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.788 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -42.5 137.46 2.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.79 -31.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.37 46.75 1.38 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.286 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 167.06 0.42 Allowed Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.533 ' NH1' ' HB2' ' C' ' 77' ' ' ALA . 0.1 OUTLIER -85.91 -21.45 27.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 1.0 109.703 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.68 73.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 97' ' ' GLY . 14.8 ttpp -66.71 -31.9 72.85 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.563 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -41.96 -35.54 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.888 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.98 -39.11 94.71 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -48.03 -29.03 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.937 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.41 -47.14 8.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.67 -20.0 19.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.17 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 97' ' ' GLY . 35.6 t -71.95 -57.91 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.673 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.572 HD22 ' N ' ' B' ' 102' ' ' LEU . 3.8 mm? -71.4 -29.2 64.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.092 0.473 . . . . 1.0 110.906 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.84 -29.03 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -56.45 -41.33 76.29 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.691 0.256 . . . . 1.0 111.691 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 4.6 pt -61.01 -48.25 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.14 -0.624 . . . . 1.0 110.371 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 pt -75.41 -30.69 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 120.226 -0.59 . . . . 1.0 111.209 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.55 HG12 ' N ' ' B' ' 108' ' ' ALA . 3.0 t -81.27 -74.25 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.231 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.55 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -37.88 -27.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.422 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 107' ' ' VAL . 27.8 t -94.92 -82.89 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.292 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mm -46.3 -32.44 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.555 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.03 -54.07 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.32 -24.55 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.37 -57.55 8.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.563 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.83 -45.99 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.857 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 10.0 mp -57.41 -38.65 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -59.86 -34.34 73.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.903 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.28 -25.06 54.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.134 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -69.98 -36.99 75.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' B' ' 115' ' ' LEU . 4.6 m170 -66.5 -46.5 76.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.703 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.973 0.416 . . . . 1.0 111.06 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.625 HG21 HG22 ' B' ' 101' ' ' VAL . 41.2 pt -83.5 -28.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -107.55 42.74 1.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' C' ' 30' ' ' ALA . 64.8 tt0 -179.68 -86.09 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.538 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' C' ' 32' ' ' ARG . . . -63.4 4.39 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -37.04 -38.87 0.21 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.891 0.377 . . . . 1.0 111.12 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -64.91 -51.74 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.12 0.486 . . . . 1.0 109.766 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' C' ' 29' ' ' ALA . 72.5 mtt180 -58.48 -38.42 77.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.329 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.87 -8.87 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 1.0 110.658 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.478 ' O ' HG23 ' C' ' 38' ' ' VAL . 27.7 mm-40 -107.97 -45.27 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.87 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.29 -53.49 21.37 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 108.798 -1.721 . . . . 1.0 108.798 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.86 -39.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.995 -0.372 . . . . 1.0 109.995 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.3 -7.12 0.51 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.823 0.344 . . . . 1.0 110.664 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.483 HG11 HG23 ' A' ' 65' ' ' VAL . 2.7 t -100.61 -16.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.377 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.486 ' N ' HD12 ' C' ' 39' ' ' LEU . 11.0 mp -87.98 -56.55 3.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 120.65 0.262 . . . . 1.0 110.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.55 ' N ' HD12 ' C' ' 40' ' ' LEU . 8.1 mp -58.99 -42.89 91.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.91 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.1 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.429 0.529 . . . . 1.0 112.429 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' C' ' 38' ' ' VAL . 4.9 m -94.21 -38.19 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 39' ' ' LEU . 55.1 t -59.81 -46.25 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.883 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 94.2 mt -61.1 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.863 -0.335 . . . . 1.0 110.833 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.83 -39.65 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.698 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 31.8 t -63.05 -56.45 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.124 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.98 -56.72 17.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.99 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' B' ' 119' ' ' HIS . 13.4 mt -86.34 -154.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.206 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.32 -161.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' VAL . . . . . 0.457 HG22 ' N ' ' C' ' 51' ' ' ASP . 7.2 p -157.09 156.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.018 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.457 ' N ' HG22 ' C' ' 50' ' ' VAL . 18.3 m-20 -158.16 -141.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.74 0.305 . . . . 1.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -43.09 166.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.871 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -140.37 24.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.398 -179.319 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 75.9 p -43.92 -27.72 0.38 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.145 0.497 . . . . 1.0 110.124 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.08 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.082 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' C' ' 53' ' ' ILE . 24.9 t -48.13 -40.51 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.442 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.39 -47.91 47.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.182 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.554 ' N ' HD12 ' C' ' 58' ' ' LEU . 7.6 mp -55.7 -41.0 73.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.087 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' C' ' 59' ' ' ILE . 1.5 mp -76.93 -55.59 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.199 0.523 . . . . 1.0 109.747 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.98 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.729 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 35.1 p -64.74 -64.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 1.0 111.39 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 58' ' ' LEU . 5.0 m -55.46 -24.36 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.423 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 36.5 tpp -55.48 -31.87 62.36 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' B' ' 38' ' ' VAL . 4.2 mm? -61.3 -41.6 97.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' B' ' 38' ' ' VAL . 2.1 t -66.02 -36.22 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.88 -0.785 . . . . 1.0 108.88 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.5 mtt -66.88 -34.93 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.12 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 67' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 46.8 mt -60.41 -34.53 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 C-N-CA 120.512 -0.475 . . . . 1.0 109.982 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 3.4 p -90.71 -21.17 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.75 -0.593 . . . . 1.0 110.281 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.68 -60.89 1.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.533 0.206 . . . . 1.0 111.404 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' C' ' 73' ' ' SER . 17.1 mt -65.41 -58.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' C' ' 67' ' ' ILE . 0.8 OUTLIER -48.83 -42.75 37.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.35 -0.54 . . . . 1.0 109.848 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 29.5 m-20 -64.29 -8.2 12.03 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.439 0.637 . . . . 1.0 109.43 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 70' ' ' ILE . 0.7 OUTLIER -91.18 -51.26 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.924 -1.035 . . . . 1.0 109.979 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.56 65.11 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.72 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.415 HG21 HD13 ' C' ' 75' ' ' ILE . 26.6 pt -50.2 -36.26 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.747 -0.781 . . . . 1.0 109.185 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' C' ' 80' ' ' ASP . 9.6 tm-20 -85.34 -29.37 24.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.533 ' HB2' ' NH1' ' B' ' 92' ' ' ARG . . . -58.88 -54.91 41.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.632 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 p -53.97 -30.3 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.993 -0.743 . . . . 1.0 108.993 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.35 -24.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.552 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' C' ' 76' ' ' GLU . 41.0 t0 -83.19 -111.52 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.901 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 99.6 mtt180 -104.85 -47.45 4.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.837 0.351 . . . . 1.0 110.886 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.804 HD12 ' H ' ' C' ' 82' ' ' ILE . 2.0 mp -39.51 161.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.71 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.493 ' N ' HG22 ' C' ' 82' ' ' ILE . . . 123.85 40.86 0.44 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.189 -1.164 . . . . 1.0 110.189 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.917 0.389 . . . . 1.0 110.341 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 0.8 OUTLIER -90.35 116.34 28.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.337 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -83.64 -26.37 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.405 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.521 ' H ' ' CD2' ' C' ' 87' ' ' HIS . 15.5 p80 -84.27 -51.41 7.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.78 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -42.28 137.36 2.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.686 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tp -175.81 -31.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.52 46.83 1.39 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.271 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.4 166.98 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.263 -0.735 . . . . 1.0 111.263 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -85.87 -21.59 27.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.69 73.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -66.81 -31.84 72.74 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.541 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -42.04 -35.47 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 50.3 mtt -73.5 -45.65 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.887 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.89 -39.08 94.84 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.98 -29.09 3.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 1.0 110.948 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.39 -47.17 8.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.59 -20.09 19.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.145 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.887 HG23 ' O ' ' C' ' 97' ' ' GLY . 35.4 t -71.95 -57.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.642 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 102' ' ' LEU . . . . . 0.577 HD22 ' N ' ' C' ' 102' ' ' LEU . 3.8 mm? -71.37 -29.19 64.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.088 0.47 . . . . 1.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -29.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -56.53 -41.22 76.42 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.704 0.261 . . . . 1.0 111.704 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 4.6 pt -61.15 -48.07 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.352 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.66 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.218 -0.593 . . . . 1.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.541 HG12 ' N ' ' C' ' 108' ' ' ALA . 3.0 t -81.22 -74.3 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.217 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.541 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -37.88 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.45 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' C' ' 107' ' ' VAL . 27.9 t -94.92 -83.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.297 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.9 mm -46.22 -32.39 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.662 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.04 -54.03 40.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -55.28 -24.65 29.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.29 -57.58 8.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.91 -45.95 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 115' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 10.0 mp -57.4 -38.71 74.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.86 -34.29 72.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.918 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -76.33 -25.01 54.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.133 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 30.6 t -69.9 -37.13 75.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.5 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' C' ' 115' ' ' LEU . 4.6 m170 -66.34 -46.7 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.701 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -72.66 147.19 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.683 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.97 -1.461 . . . . 1.0 110.872 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.367 -0.234 . . . . 1.0 110.367 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -65.55 -21.69 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 1.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.54 42.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 29.8 tt0 -177.77 -90.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.16 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.91 4.48 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.548 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.46 -33.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.768 0.318 . . . . 1.0 111.189 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.4 -49.83 6.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.035 0.445 . . . . 1.0 110.781 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' NH2' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -63.26 -24.66 67.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.042 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 35' ' ' GLY . 8.3 tp-100 -59.49 -57.48 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.66 -25.64 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.605 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -91.57 -48.62 3.17 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.67 -34.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.802 -0.234 . . . . 1.0 111.02 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -63.31 -72.05 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.761 0.315 . . . . 1.0 110.335 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' VAL . 3.8 p -39.64 -17.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.263 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.9 tp -90.36 -47.07 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 37' ' ' ALA . 83.8 mt -69.02 -34.72 75.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.0 110.526 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -61.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' VAL . 34.3 m -47.76 -38.15 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.933 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 39' ' ' LEU . 16.4 t -55.27 -43.48 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.81 -47.6 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.172 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -39.17 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.362 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 48' ' ' LEU . 41.2 t -60.72 -48.47 81.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.76 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -49.37 -17.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.194 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' CYS . 0.8 OUTLIER 179.6 93.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.86 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.5 90.88 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.7 t -152.02 92.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.38 144.92 34.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.161 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.16 -76.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.597 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 56' ' ' VAL . 21.5 tt -173.2 -36.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 53' ' ' ILE . 60.8 m -34.58 -29.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.709 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.7 tmt_? -79.4 -48.24 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.412 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 53' ' ' ILE . 83.7 t -71.39 -37.68 65.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.172 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 tt -47.82 -49.79 28.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.6 mm? -47.1 -45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.566 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -49.53 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.45 -55.13 14.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.959 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 24.8 p -63.96 -58.29 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 1.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' LEU . 64.1 t -49.95 -29.05 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.578 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.549 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.55 -32.09 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.733 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 67' ' ' ILE . 33.0 mt -68.57 -47.71 66.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.063 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' VAL . 9.8 t -66.23 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.414 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.1 mtt -66.71 -33.21 75.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 64' ' ' LEU . 1.2 tp -47.66 -39.95 7.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.218 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -89.89 -20.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -92.15 -62.35 1.43 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.345 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' SER . 38.8 mt -64.67 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.297 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.15 -43.49 31.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.982 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -64.23 -10.34 22.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.234 0.54 . . . . 1.0 109.718 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t -89.43 -52.48 5.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.338 -0.846 . . . . 1.0 108.855 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.06 70.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.121 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.89 -38.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.276 -0.875 . . . . 1.0 108.948 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ASP . 30.2 mm-40 -85.55 -23.85 27.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.422 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -53.47 57.99 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.454 -0.499 . . . . 1.0 109.91 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.66 -32.01 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.087 -0.708 . . . . 1.0 109.087 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.76 -24.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.041 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 m-20 -79.56 -106.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.161 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 98.5 mtt180 -104.01 -57.62 2.01 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.949 -0.3 . . . . 1.0 110.767 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.826 HG23 ' H ' ' A' ' 83' ' ' GLY . 2.0 tp 161.54 -63.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 124.016 0.823 . . . . 1.0 109.668 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 82' ' ' ILE . . . 58.96 -143.03 45.93 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.66 -0.976 . . . . 1.0 110.66 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.1 p 47.18 -176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 1.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -50.32 115.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 63.0 t80 -83.78 -14.5 51.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.471 ' O ' ' O ' ' A' ' 88' ' ' GLU . 70.8 m-70 -55.29 -63.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.093 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 87' ' ' HIS . 34.1 tt0 46.87 104.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.735 0.302 . . . . 1.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 91' ' ' GLY . 2.0 pp -177.93 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.102 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 91' ' ' GLY . 17.8 m -72.45 28.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.304 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.28 169.28 0.03 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.83 -27.97 26.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 1.0 110.102 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.21 74.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.73 -29.14 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.689 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.07 -44.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.313 . . . . 1.0 111.185 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 35.0 mmm -72.46 -45.21 60.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.738 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.38 -39.49 95.86 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.563 -0.615 . . . . 1.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.75 -31.29 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.774 -0.251 . . . . 1.0 111.104 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.3 -48.45 8.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -65.08 -21.21 66.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.615 . . . . 1.0 111.494 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.2 t -64.1 -66.23 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.786 0.327 . . . . 1.0 110.286 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.1 mt -52.67 -45.6 66.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.704 0.764 . . . . 1.0 109.997 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 106' ' ' ILE . 21.0 mt -70.66 -24.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -38.1 -49.61 1.32 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.074 0.464 . . . . 1.0 110.83 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 82.2 mt -66.16 -38.6 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.851 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.8 mt -75.5 -61.94 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 120.492 -0.483 . . . . 1.0 111.613 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.95 HG13 ' H ' ' A' ' 108' ' ' ALA . 7.5 p -50.13 -75.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.359 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.95 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -35.35 -30.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.896 0.332 . . . . 1.0 111.896 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 107' ' ' VAL . 77.7 t -84.86 -76.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.33 -23.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.085 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 74.5 m -58.56 -52.89 63.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.966 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.5 ' CD2' ' O ' ' A' ' 108' ' ' ALA . 4.6 m0 -76.48 -26.95 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.489 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.75 -59.15 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.468 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.18 -42.16 93.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.473 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.83 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 7.8 tp -65.85 -38.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.24 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.77 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 1.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.04 -34.17 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.543 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.17 -17.92 63.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.833 -179.236 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.559 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 52.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.32 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 120.643 0.258 . . . . 1.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -65.36 -21.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.0 110.673 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.57 42.53 1.38 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' B' ' 32' ' ' ARG . 29.7 tt0 -177.72 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.059 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.77 4.43 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.587 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.68 -33.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.782 0.325 . . . . 1.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.42 -49.77 7.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.063 0.459 . . . . 1.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -63.39 -24.47 67.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.001 -179.349 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -41.75 -25.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -91.56 -48.56 3.19 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.69 -34.07 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.797 -0.237 . . . . 1.0 111.05 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -63.26 -72.03 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 1.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.584 ' O ' HG22 ' B' ' 42' ' ' VAL . 3.7 p -39.73 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.298 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.9 tp -90.39 -47.11 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' B' ' 37' ' ' ALA . 83.6 mt -68.95 -34.71 75.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.98 -1.009 . . . . 1.0 110.505 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.87 -61.48 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 38' ' ' VAL . 34.4 m -47.73 -38.07 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.983 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 39' ' ' LEU . 16.3 t -55.3 -43.48 71.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.92 -47.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.171 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.19 66.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' B' ' 48' ' ' LEU . 41.1 t -60.68 -48.42 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.808 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -49.44 -17.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.169 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 46' ' ' CYS . 0.8 OUTLIER 179.69 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.821 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.51 90.98 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.9 t -152.12 92.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.26 144.9 34.93 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.215 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -76.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.609 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 56' ' ' VAL . 21.4 tt -173.09 -36.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' B' ' 53' ' ' ILE . 61.0 m -34.59 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.696 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 53' ' ' ILE . 1.7 tmt_? -79.44 -48.33 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.4 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' B' ' 53' ' ' ILE . 84.4 t -71.35 -37.6 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.188 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.3 tt -47.91 -49.76 28.93 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.519 ' O ' HG23 ' B' ' 62' ' ' VAL . 2.6 mm? -46.98 -45.49 20.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.574 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.65 -49.59 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.357 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -49.51 -55.06 14.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.936 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 24.6 p -63.93 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 1.0 110.344 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 58' ' ' LEU . 65.5 t -49.92 -29.01 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 30.5 ttp -58.58 -32.08 68.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.467 -0.493 . . . . 1.0 109.729 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.426 ' O ' HG22 ' B' ' 67' ' ' ILE . 32.7 mt -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.019 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' B' ' 68' ' ' VAL . 10.3 t -66.18 -37.53 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' B' ' 70' ' ' ILE . 42.9 mtt -66.78 -33.19 75.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.426 HG22 ' O ' ' B' ' 64' ' ' LEU . 1.2 tp -47.65 -39.95 7.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.152 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 65' ' ' VAL . 4.5 p -89.89 -21.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 121.092 -0.243 . . . . 1.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.13 -62.4 1.42 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 121.142 -0.223 . . . . 1.0 111.374 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 38.3 mt -64.61 -59.23 4.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.298 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.23 -43.24 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.186 -0.606 . . . . 1.0 110.085 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -64.33 -10.33 23.58 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.264 0.554 . . . . 1.0 109.734 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.3 t -89.43 -52.45 5.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.304 -0.862 . . . . 1.0 108.875 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.12 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.127 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.88 -38.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 1.0 109.04 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.82 27.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.519 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.54 57.17 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.942 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.57 -32.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.128 -0.693 . . . . 1.0 109.128 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.81 -23.98 9.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.083 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.8 m-20 -79.54 -106.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.124 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.412 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 98.5 mtt180 -103.97 -57.68 2.0 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.793 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.784 HG23 ' H ' ' B' ' 83' ' ' GLY . 1.9 tp 161.57 -63.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.035 0.834 . . . . 1.0 109.665 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.784 ' H ' HG23 ' B' ' 82' ' ' ILE . . . 58.86 -142.88 45.8 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.411 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.7 p 47.02 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 1.0 110.917 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 62.9 t80 -83.76 -14.61 51.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' B' ' 88' ' ' GLU . 72.8 m80 -55.29 -63.24 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.096 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 87' ' ' HIS . 34.1 tt0 46.89 104.34 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.681 0.277 . . . . 1.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 91' ' ' GLY . 2.0 pp -178.01 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.043 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.434 ' N ' HD12 ' B' ' 89' ' ' LEU . 17.6 m -72.47 28.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.314 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.2 169.32 0.03 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -84.8 -27.98 26.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.07 0.462 . . . . 1.0 110.065 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.22 -50.16 74.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.001 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.75 -29.18 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.658 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -39.96 -45.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 1.0 111.212 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 35.4 mmm -72.43 -45.26 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.501 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.35 -39.48 95.9 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.597 -0.601 . . . . 1.0 111.597 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.76 -31.31 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.714 0.293 . . . . 1.0 111.121 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.22 -48.47 8.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -65.09 -21.22 66.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.54 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.2 t -64.18 -66.22 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.56 -45.74 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.752 0.787 . . . . 1.0 109.984 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 106' ' ' ILE . 20.6 mt -70.62 -24.31 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -38.28 -49.45 1.39 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.968 0.413 . . . . 1.0 110.807 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 82.8 mt -66.24 -38.66 82.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.805 -0.634 . . . . 1.0 109.77 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.39 -62.07 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.548 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 108' ' ' ALA . 7.5 p -50.09 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.351 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.945 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -35.51 -30.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' B' ' 107' ' ' VAL . 77.9 t -84.96 -76.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.862 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.27 -23.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.06 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 75.3 m -58.56 -52.89 63.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.986 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' TRP . . . . . 0.501 ' CD2' ' O ' ' B' ' 108' ' ' ALA . 4.6 m0 -76.37 -27.06 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.54 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.77 -59.11 4.6 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.553 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.07 -42.32 94.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.453 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 6.6 tp -66.01 -38.5 88.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.254 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' B' ' 117' ' ' TRP . 36.6 m0 -61.9 -22.73 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 1.0 110.374 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -79.95 -34.2 38.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.97 63.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.87 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.558 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 52.8 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.261 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.342 -0.244 . . . . 1.0 110.342 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 pt -65.41 -21.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 1.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -108.53 42.58 1.37 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.522 ' O ' ' NH2' ' C' ' 32' ' ' ARG . 29.8 tt0 -177.7 -90.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.881 0.372 . . . . 1.0 111.122 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.83 4.56 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.633 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.72 -33.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.736 0.303 . . . . 1.0 111.151 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.35 -49.94 6.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.088 0.47 . . . . 1.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -63.3 -24.49 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.05 -179.272 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' C' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.55 12.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.5 -25.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -91.4 -48.64 3.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.59 -34.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 122.809 -0.23 . . . . 1.0 111.026 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -63.26 -72.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 1.0 110.33 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.585 ' O ' HG22 ' C' ' 42' ' ' VAL . 3.8 p -39.69 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.725 -0.671 . . . . 1.0 111.363 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.1 tp -90.5 -46.97 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' C' ' 37' ' ' ALA . 83.7 mt -68.95 -34.81 75.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.504 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.85 -61.37 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.528 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.585 HG22 ' O ' ' C' ' 38' ' ' VAL . 34.4 m -47.84 -38.11 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.92 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 39' ' ' LEU . 16.7 t -55.19 -43.57 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.76 -47.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 1.0 110.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.17 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.34 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' C' ' 48' ' ' LEU . 40.8 t -60.58 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.855 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -49.43 -17.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.178 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' C' ' 46' ' ' CYS . 0.8 OUTLIER 179.67 93.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.854 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.52 90.97 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -152.02 92.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.35 144.92 34.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.27 -76.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' C' ' 56' ' ' VAL . 21.4 tt -173.23 -36.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' C' ' 53' ' ' ILE . 60.3 m -34.68 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.814 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 55' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' C' ' 53' ' ' ILE . 1.6 tmt_? -79.47 -48.24 14.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.382 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' C' ' 53' ' ' ILE . 83.3 t -71.42 -37.72 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.133 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' C' ' 57' ' ' LEU . 1.3 tt -47.74 -49.82 27.12 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 2.6 mm? -47.06 -45.37 21.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.611 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.76 -49.51 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.368 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.5 -55.08 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 24.7 p -63.95 -58.32 7.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 64.3 t -49.91 -29.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.574 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.54 -32.09 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.423 ' O ' HG22 ' C' ' 67' ' ' ILE . 32.7 mt -68.6 -47.77 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.023 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.18 -37.62 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.431 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.435 ' O ' ' N ' ' C' ' 70' ' ' ILE . 43.1 mtt -66.69 -33.21 75.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 67' ' ' ILE . . . . . 0.423 HG22 ' O ' ' C' ' 64' ' ' LEU . 1.2 tp -47.71 -39.94 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.131 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.401 ' H ' HG12 ' C' ' 68' ' ' VAL . 4.4 p -89.94 -20.98 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.11 -62.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 121.079 -0.248 . . . . 1.0 111.376 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' C' ' 73' ' ' SER . 39.0 mt -64.51 -59.3 4.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.257 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.22 -43.34 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.296 -0.562 . . . . 1.0 110.076 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.3 -10.35 23.48 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.222 0.534 . . . . 1.0 109.67 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.3 t -89.34 -52.6 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.378 -0.828 . . . . 1.0 108.854 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.06 71.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.113 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.79 -38.25 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.347 -0.842 . . . . 1.0 109.04 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' C' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.88 27.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.027 -0.269 . . . . 1.0 110.474 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.36 -53.45 58.17 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.46 -0.496 . . . . 1.0 109.899 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.6 -32.15 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.73 -24.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 m-20 -79.52 -106.44 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.13 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' C' ' 82' ' ' ILE . 98.4 mtt180 -103.98 -57.62 2.01 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.763 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.794 HG23 ' H ' ' C' ' 83' ' ' GLY . 2.0 tp 161.49 -63.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 124.03 0.831 . . . . 1.0 109.677 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 83' ' ' GLY . . . . . 0.794 ' H ' HG23 ' C' ' 82' ' ' ILE . . . 58.95 -143.01 45.92 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' C' ' 83' ' ' GLY . 23.6 p 47.16 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 1.0 110.935 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.53 1.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.034 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 62.9 t80 -83.75 -14.58 51.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' C' ' 88' ' ' GLU . 70.6 m-70 -55.29 -63.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.155 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 87' ' ' HIS . 34.1 tt0 46.85 104.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.695 0.283 . . . . 1.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 2.0 pp -177.9 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.08 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.433 ' O ' ' O ' ' C' ' 91' ' ' GLY . 17.1 m -72.44 28.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.332 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.32 169.29 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.75 -28.1 26.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.073 0.463 . . . . 1.0 110.142 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.14 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.654 . . . . 1.0 111.09 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -66.74 -29.2 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.67 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.09 -44.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 1.0 111.224 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 35.5 mmm -72.6 -45.22 60.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.27 -39.58 96.08 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.51 -0.636 . . . . 1.0 111.51 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.64 -31.48 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 1.0 111.07 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.19 -48.39 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -65.28 -21.03 66.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.496 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.3 t -64.17 -66.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.743 0.306 . . . . 1.0 110.255 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.6 -45.66 66.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.689 0.757 . . . . 1.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 106' ' ' ILE . 20.5 mt -70.57 -24.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -38.23 -49.42 1.37 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.97 0.414 . . . . 1.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 82.4 mt -66.35 -38.5 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.817 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' C' ' 103' ' ' ILE . 8.1 mt -75.52 -61.97 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.521 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.977 HG13 ' H ' ' C' ' 108' ' ' ALA . 7.5 p -50.22 -74.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.363 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.977 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -35.41 -30.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.905 0.335 . . . . 1.0 111.905 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' C' ' 107' ' ' VAL . 79.8 t -84.79 -77.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.892 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.21 -23.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.072 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 76.3 m -58.52 -52.93 63.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.027 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 112' ' ' TRP . . . . . 0.498 ' CD2' ' O ' ' C' ' 108' ' ' ALA . 4.6 m0 -76.49 -26.89 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.483 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.87 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.48 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.17 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.413 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.71 -30.94 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 6.7 tp -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.214 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 117' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' C' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.79 65.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 1.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 -34.27 38.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.535 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 119' ' ' HIS . . . . . 0.561 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.91 63.93 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.831 -179.27 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.561 ' N ' ' ND1' ' C' ' 119' ' ' HIS . 52.8 t80 51.89 175.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.246 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.501 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.03 -1.428 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CD1' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.438 0 CA-C-O 120.973 0.416 . . . . 1.0 110.02 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -60.54 -16.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.372 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -106.66 43.37 1.16 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.463 179.162 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' H ' ' CG ' ' A' ' 28' ' ' GLU . . . -60.03 2.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.504 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -40.63 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -89.22 -45.91 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.21 0.528 . . . . 1.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.518 -0.764 . . . . 1.0 109.673 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 36.8 tp60 -59.93 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.508 -0.769 . . . . 1.0 109.96 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.0 -22.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.678 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -93.63 -55.35 1.55 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.868 -0.606 . . . . 1.0 112.216 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.59 -34.46 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 122.343 -0.504 . . . . 1.0 110.666 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -59.65 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.219 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -39.05 -18.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.27 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tt -87.87 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ALA . 4.0 mm? -66.21 -36.64 83.6 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.25 64.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.012 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -89.52 -37.53 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.81 -47.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.521 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -73.23 -47.23 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.478 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -60.52 -39.38 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.604 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.45 -51.41 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.194 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.76 -54.08 50.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.202 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.4 mp -82.84 -170.69 3.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.016 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.2 p-10 -71.53 -122.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.496 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 11.3 p -158.31 149.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.406 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.25 177.04 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 -139.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.726 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -97.73 -28.69 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.381 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.406 ' N ' HD13 ' A' ' 53' ' ' ILE . 36.5 p -38.0 -40.24 0.46 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.854 0.359 . . . . 1.0 111.134 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.06 -40.58 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.061 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ILE . 46.7 t -61.69 -37.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -48.0 -53.05 17.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 62' ' ' VAL . 11.1 tp -49.86 -52.12 35.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 63' ' ' MET . 14.5 mm -61.67 -25.75 37.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.202 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -76.22 -52.25 10.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.282 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m -64.13 -59.57 4.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.999 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 HD13 ' C' ' 103' ' ' ILE . 6.2 p -50.56 -35.54 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.705 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.2 mmt -58.52 -39.24 79.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.19 -37.98 84.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -68.41 -37.05 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.8 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.99 39.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.248 -0.433 . . . . 1.0 112.017 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.7 -23.9 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.083 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 66' ' ' MET . 86.8 t -90.84 -33.23 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 1.0 110.443 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' MET . 28.1 tp10 -94.76 -51.9 4.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.071 -178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 8.9 tt -67.55 -53.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 70' ' ' ILE . 2.2 tp -54.17 -35.59 62.45 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.124 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.404 ' O ' ' OE1' ' C' ' 88' ' ' GLU . 55.3 t30 -72.76 -12.67 61.1 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.235 0.541 . . . . 1.0 109.763 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -91.5 -52.16 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.411 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.66 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.5 pp -52.84 -40.0 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.699 -0.8 . . . . 1.0 109.587 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 80' ' ' ASP . 21.1 tt0 -82.39 -23.92 34.7 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.33 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.0 -51.58 69.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.8 t -52.88 -32.7 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.18 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.62 -24.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.111 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 63.0 m-20 -78.1 -102.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 60.5 ttt-85 -100.78 -10.0 21.2 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.8 tt 34.93 98.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.919 0.39 . . . . 1.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.77 -178.86 15.58 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 p 58.35 38.33 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 110.468 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.14 -71.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.655 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.477 ' O ' HD21 ' A' ' 89' ' ' LEU . 72.7 m-85 -51.51 -16.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.54 -10.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' B' ' 72' ' ' ASN . 87.7 mt-10 -125.15 87.63 2.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.695 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 86' ' ' TYR . 19.3 mt -101.7 -23.18 14.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.359 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -74.17 36.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.99 167.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.475 ' CD ' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -86.31 -22.49 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.55 -50.28 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.8 -29.27 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.12 -40.24 2.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.852 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 96' ' ' MET . 2.2 mpp? -70.56 -43.72 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -63.14 -36.54 93.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.14 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.717 0.294 . . . . 1.0 110.836 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.17 -50.28 4.89 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -55.34 -26.11 38.82 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.76 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 97' ' ' GLY . 25.1 t -69.39 -59.2 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.897 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.1 mt -50.42 -44.19 55.1 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.007 -0.677 . . . . 1.0 110.589 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 9.7 pt -78.55 -26.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 1.0 111.315 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . . . -36.79 -48.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.956 0.408 . . . . 1.0 110.852 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 80.2 mt -69.39 -38.51 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.985 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.9 mt -75.14 -61.44 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.505 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 108' ' ' ALA . 13.5 p -47.6 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 121.083 -0.247 . . . . 1.0 111.04 -178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.873 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -39.55 -26.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.84 0.291 . . . . 1.0 111.422 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' VAL . 99.4 t -92.84 -81.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.19 -37.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.289 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 14.4 m -59.15 -49.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.884 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.8 -31.22 69.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.135 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.73 -58.81 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.262 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 114' ' ' ILE . 1.2 mp -67.43 -39.89 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.4 tp -55.69 -31.03 62.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -67.67 -30.91 70.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.917 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -56.99 -20.65 25.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 120' ' ' PHE . 8.2 t -59.84 -29.98 68.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.287 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -0.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.728 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 118' ' ' SER . 70.5 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' TRP . . . . . 0.427 ' CD1' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.997 0.427 . . . . 1.0 110.055 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.63 -16.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.7 43.42 1.16 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.379 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 0.4 OUTLIER 171.36 -93.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.527 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.421 ' H ' ' CG ' ' B' ' 28' ' ' GLU . . . -60.08 2.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.527 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -40.5 -29.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.891 0.377 . . . . 1.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -89.24 -45.91 9.18 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 110.167 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -65.84 -22.47 66.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.711 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.427 ' OE1' ' CD1' ' B' ' 25' ' ' TRP . 36.8 tp60 -59.99 -62.08 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.921 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.06 -22.43 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.349 -0.54 . . . . 1.0 110.606 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.453 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -93.59 -55.25 1.57 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.29 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.74 -34.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 122.368 -0.489 . . . . 1.0 110.543 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -59.6 -64.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.229 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.492 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -38.98 -18.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.272 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.2 tt -87.72 -54.44 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 178.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' ALA . 4.0 mm? -65.95 -36.8 84.34 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.445 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.22 65.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 38' ' ' VAL . 44.2 t -89.49 -37.57 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.84 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.7 -48.04 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.476 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.591 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -73.17 -47.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.495 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.591 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -60.53 -39.43 87.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.579 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 39.2 t -64.38 -51.45 63.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.259 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.71 -54.03 50.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.258 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 48' ' ' LEU . 10.4 mp -82.96 -170.65 3.13 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.3 p-10 -71.56 -122.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.464 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.428 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 11.3 p -158.27 149.2 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.374 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.29 177.07 7.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -97.8 -28.46 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.398 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.4 p -38.23 -40.18 0.49 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.819 0.342 . . . . 1.0 111.091 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.05 -40.51 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.11 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' B' ' 53' ' ' ILE . 46.6 t -61.77 -37.1 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.654 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 57' ' ' LEU . 0.4 OUTLIER -48.14 -53.01 18.19 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 62' ' ' VAL . 11.1 tp -49.85 -52.05 35.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.984 -0.746 . . . . 1.0 108.984 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' B' ' 63' ' ' MET . 14.6 mm -61.76 -25.7 37.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.17 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.26 -52.19 10.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.291 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 44.1 m -64.17 -59.62 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.963 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.519 HG21 HD13 ' A' ' 103' ' ' ILE . 6.2 p -50.49 -35.59 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.7 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' B' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.21 79.4 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.3 -37.84 84.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -37.1 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.801 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.513 ' O ' ' N ' ' B' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.96 39.88 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.274 -0.421 . . . . 1.0 112.035 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.72 -23.85 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 119.868 -0.733 . . . . 1.0 110.154 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 66' ' ' MET . 87.5 t -90.83 -33.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 1.0 110.38 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 66' ' ' MET . 28.1 tp10 -94.65 -51.81 4.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 112.17 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 8.9 tt -67.57 -53.29 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.432 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' B' ' 70' ' ' ILE . 2.2 tp -54.18 -35.63 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.142 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' A' ' 88' ' ' GLU . 55.2 t30 -72.73 -12.58 61.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.244 0.545 . . . . 1.0 109.752 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.469 ' O ' ' N ' ' B' ' 77' ' ' ALA . 0.3 OUTLIER -91.56 -52.2 4.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.362 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.66 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.324 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.5 pp -52.77 -40.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 119.782 -0.767 . . . . 1.0 109.643 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 21.2 tt0 -82.41 -23.92 34.64 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.03 -51.49 69.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.449 -0.575 . . . . 1.0 109.449 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.95 -32.62 18.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.278 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 41.4 t -85.67 -24.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 62.6 m-20 -78.04 -102.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.139 0.422 . . . . 1.0 112.139 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 82' ' ' ILE . 60.4 ttt-85 -100.71 -10.04 21.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.933 0.346 . . . . 1.0 111.933 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.94 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 121.017 0.437 . . . . 1.0 111.3 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.68 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 58.11 38.5 26.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 1.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.21 -71.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.476 ' O ' HD21 ' B' ' 89' ' ' LEU . 72.8 m-85 -51.4 -16.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -56.62 -10.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 72' ' ' ASN . 87.8 mt-10 -125.09 87.61 2.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.476 HD21 ' O ' ' B' ' 86' ' ' TYR . 19.1 mt -101.75 -23.13 14.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.364 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.19 36.94 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.97 167.74 0.08 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.681 -0.967 . . . . 1.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -86.3 -22.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.302 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.41 71.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.74 -29.26 69.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.2 -40.16 2.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.886 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' B' ' 96' ' ' MET . 2.2 mpp? -70.59 -43.72 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLY . . . . . 0.493 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -63.12 -36.53 93.58 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.1 8.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.615 0.245 . . . . 1.0 110.785 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.27 -50.29 4.85 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -55.37 -26.05 38.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.738 -178.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 97' ' ' GLY . 25.0 t -69.48 -59.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.45 -44.17 55.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.065 -0.654 . . . . 1.0 110.567 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 106' ' ' ILE . 9.8 pt -78.55 -26.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.253 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.69 -48.76 0.73 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.927 0.394 . . . . 1.0 110.859 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 109' ' ' VAL . 80.3 mt -69.41 -38.47 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.995 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.11 -61.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.446 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.866 HG13 ' H ' ' B' ' 108' ' ' ALA . 13.4 p -47.54 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 121.169 -0.212 . . . . 1.0 111.046 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.866 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -39.48 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.815 0.279 . . . . 1.0 111.476 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 107' ' ' VAL . 99.4 t -92.89 -81.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.912 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.16 -37.26 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.235 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 14.4 m -59.09 -49.86 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.815 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.026 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 74.5 m -65.74 -58.71 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.2 mp -67.42 -39.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.766 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.61 -31.05 61.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.56 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -67.7 -30.95 70.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.857 179.398 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.96 -20.63 24.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.106 0.479 . . . . 1.0 110.296 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' SER . . . . . 0.436 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.2 t -59.81 -30.02 68.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.279 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -0.63 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.81 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' B' ' 118' ' ' SER . 70.7 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.584 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' OE1' ' C' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.893 0.378 . . . . 1.0 110.01 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.54 -16.62 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.66 43.35 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.347 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' C' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.55 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' C' ' 28' ' ' GLU . . . -60.15 2.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.508 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -40.63 -28.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 1.0 111.179 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -89.25 -45.95 9.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.154 0.502 . . . . 1.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.88 -22.38 66.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.683 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' C' ' 25' ' ' TRP . 36.8 tp60 -60.03 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.949 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.03 -22.42 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.606 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.45 ' O ' HG12 ' C' ' 38' ' ' VAL . . . -93.61 -55.29 1.56 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.961 -0.563 . . . . 1.0 112.303 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.6 -34.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 117.144 0.472 . . . . 1.0 110.576 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -59.55 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.258 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.508 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -39.04 -18.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.277 -178.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.2 tt -87.86 -54.18 4.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' C' ' 37' ' ' ALA . 4.0 mm? -66.17 -36.7 83.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.486 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.17 -24.1 64.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.996 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.508 HG23 ' O ' ' C' ' 38' ' ' VAL . 43.9 t -89.59 -37.54 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.765 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 43' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 39' ' ' LEU . 45.3 t -56.84 -47.82 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.537 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -73.29 -47.16 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -60.43 -39.47 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.628 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.42 -51.41 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.83 -53.96 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.54 HD12 ' N ' ' C' ' 48' ' ' LEU . 10.4 mp -82.98 -170.7 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.972 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.3 p-10 -71.5 -122.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.505 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' VAL . . . . . 0.426 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 11.3 p -158.27 149.13 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.366 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 177.17 7.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.61 -139.49 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.0 OUTLIER -97.82 -28.63 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.321 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 36.6 p -37.98 -40.38 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 1.0 111.1 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -78.98 -40.58 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.088 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' C' ' 53' ' ' ILE . 46.9 t -61.79 -37.08 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.61 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.516 HD13 ' O ' ' C' ' 57' ' ' LEU . 0.4 OUTLIER -48.04 -53.02 17.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.466 ' O ' HG12 ' C' ' 62' ' ' VAL . 11.1 tp -49.92 -52.12 35.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' C' ' 63' ' ' MET . 14.5 mm -61.64 -25.66 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.301 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.3 -52.13 10.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 -59.62 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.956 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 62' ' ' VAL . . . . . 0.496 HG21 HD13 ' B' ' 103' ' ' ILE . 6.3 p -50.58 -35.54 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.676 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 63' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' C' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.16 79.25 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.979 -0.378 . . . . 1.0 109.979 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.38 -37.88 83.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.03 -0.73 . . . . 1.0 109.03 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.45 -37.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.76 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 66' ' ' MET . . . . . 0.517 ' O ' ' N ' ' C' ' 69' ' ' GLU . 7.3 mmt -66.45 -53.08 39.52 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.069 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 pt -44.62 -23.93 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 119.96 -0.696 . . . . 1.0 110.16 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 68' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' C' ' 66' ' ' MET . 87.4 t -90.79 -33.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 1.0 110.392 178.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 69' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' C' ' 66' ' ' MET . 28.2 tp10 -94.72 -51.83 4.54 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.165 -0.471 . . . . 1.0 112.102 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' C' ' 71' ' ' LEU . 8.8 tt -67.54 -53.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.559 -0.456 . . . . 1.0 110.427 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' C' ' 70' ' ' ILE . 2.2 tp -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.048 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 72' ' ' ASN . . . . . 0.412 ' O ' ' OE1' ' B' ' 88' ' ' GLU . 55.1 t30 -72.72 -12.57 61.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.201 0.524 . . . . 1.0 109.752 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 73' ' ' SER . . . . . 0.466 ' O ' ' N ' ' C' ' 77' ' ' ALA . 0.3 OUTLIER -91.53 -52.13 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.37 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.01 -51.68 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.286 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.6 pp -52.73 -40.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.738 -0.785 . . . . 1.0 109.658 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' C' ' 80' ' ' ASP . 21.2 tt0 -82.37 -23.95 34.72 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.333 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.02 -51.55 69.22 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -52.92 -32.6 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.82 -24.17 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.579 -0.737 . . . . 1.0 111.012 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 80' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.0 m-20 -78.16 -102.87 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 81' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' C' ' 82' ' ' ILE . 60.4 ttt-85 -100.74 -10.01 21.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.916 0.339 . . . . 1.0 111.916 -178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 82' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 35.01 97.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.95 0.405 . . . . 1.0 111.378 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.0 p 58.22 38.47 26.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 1.0 110.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.3 -71.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' TYR . . . . . 0.481 ' O ' HD21 ' C' ' 89' ' ' LEU . 72.9 m-85 -51.37 -16.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.539 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.65 -10.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 72' ' ' ASN . 87.9 mt-10 -125.08 87.62 2.74 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.858 0.361 . . . . 1.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 89' ' ' LEU . . . . . 0.481 HD21 ' O ' ' C' ' 86' ' ' TYR . 19.1 mt -101.75 -23.1 14.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.37 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.32 36.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 57.04 167.68 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' C' ' 92' ' ' ARG . 0.0 OUTLIER -86.28 -22.51 26.77 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.43 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.399 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -66.81 -29.31 69.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -42.11 -40.22 2.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.854 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' C' ' 96' ' ' MET . 2.1 mpp? -70.59 -43.76 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.03 -36.6 93.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 43.7 t -48.44 -33.1 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.754 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.3 -50.19 4.89 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -55.43 -26.06 39.73 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 25.0 t -69.38 -59.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 32.3 mt -50.3 -44.26 53.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.569 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' C' ' 106' ' ' ILE . 9.8 pt -78.5 -26.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.301 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -36.75 -48.73 0.74 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.857 0.36 . . . . 1.0 110.873 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 105' ' ' ILE . . . . . 0.43 ' O ' HG23 ' C' ' 109' ' ' VAL . 80.3 mt -69.28 -38.56 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.992 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 106' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' C' ' 103' ' ' ILE . 7.9 mt -75.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.497 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.861 HG13 ' H ' ' C' ' 108' ' ' ALA . 13.4 p -47.62 -71.92 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.72 -0.218 . . . . 1.0 111.036 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 108' ' ' ALA . . . . . 0.861 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -39.56 -26.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.831 0.287 . . . . 1.0 111.492 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 109' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' C' ' 107' ' ' VAL . 99.5 t -92.92 -81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.94 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.09 -37.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.307 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 14.2 m -59.08 -49.85 76.31 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.892 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.71 -31.34 69.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.097 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.75 -58.76 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.248 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.2 mp -67.41 -39.98 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.741 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 36.2 tp -55.6 -31.12 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' LEU . . . . . 0.551 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -67.61 -31.01 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 1.0 109.921 179.386 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.85 -20.68 24.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.232 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 118' ' ' SER . . . . . 0.434 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.3 t -59.87 -29.95 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.279 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -0.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.8 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 120' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' C' ' 118' ' ' SER . 70.1 t80 -81.95 -93.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 121' ' ' GLY . . . . . 0.4 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -67.84 107.64 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.574 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.43 -4.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.534 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m 50.93 77.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.0 p -78.18 -31.67 49.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.52 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.25 13.31 0.02 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 1.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.525 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 57.7 mtp85 -59.47 -38.73 81.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.41 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.0 mt -63.54 -46.98 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.306 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.5 mt -65.49 -49.09 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.137 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -65.96 -35.11 79.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.4 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . -61.33 -40.35 93.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.495 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.19 -14.38 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.633 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.86 -16.53 54.35 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' ALA . 34.2 m-85 41.65 40.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 1.0 110.712 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -53.11 -27.71 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -50.29 -37.56 36.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -59.87 -36.78 77.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.606 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.57 -35.54 81.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.3 mm? -73.11 -32.35 64.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -65.41 -46.96 77.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.86 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.34 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.693 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -47.27 -60.14 2.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.087 0.47 . . . . 1.0 110.201 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 27' ' ' ASN . 36.5 t-20 -107.79 43.31 1.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.915 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 18.2 tt0 164.59 -70.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.474 0.484 . . . . 1.0 110.229 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.0 2.51 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.426 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.64 -30.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.816 0.341 . . . . 1.0 111.44 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.49 -48.64 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 1.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.73 66.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.146 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -59.5 5.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.529 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 61.8 tt0 -47.72 -22.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.07 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.74 -53.49 1.53 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.68 -0.568 . . . . 1.0 111.68 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.3 -45.17 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.605 0.24 . . . . 1.0 110.601 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.62 -60.1 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 42' ' ' VAL . 96.5 t -38.44 -19.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.3 tp -87.24 -52.77 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.45 -0.945 . . . . 1.0 108.45 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ALA . 13.9 mt -66.98 -36.13 81.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.819 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.2 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.418 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 38' ' ' VAL . 22.8 t -83.11 -38.01 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.905 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.0 t -51.84 -48.08 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.468 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG21 HD21 ' C' ' 115' ' ' LEU . 61.7 mt -74.49 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.53 -43.59 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 1.0 110.373 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.84 -48.69 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.74 -45.93 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.043 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 tp -173.36 132.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -157.61 108.42 2.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -154.91 51.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 114' ' ' ILE . 6.2 m-20 -84.29 -172.2 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' C' ' 53' ' ' ILE . . . -82.98 2.92 32.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' B' ' 52' ' ' ALA . 3.8 mt 69.51 -2.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.164 0.507 . . . . 1.0 110.41 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 m -43.69 -37.94 2.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' ' OG1' ' C' ' 111' ' ' THR . 37.6 ttt180 -48.12 -39.28 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 1.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.44 -43.77 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.661 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.0 tt -49.55 -55.71 12.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.496 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.34 -43.07 64.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' MET . 96.6 mt -67.66 -54.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.749 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.7 -43.9 47.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.089 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.4 m -64.06 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 1.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.23 -28.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.457 ' O ' HG23 ' A' ' 67' ' ' ILE . 39.7 ttp -58.75 -30.19 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.02 -41.35 96.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.11 -39.06 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.264 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ILE . 34.7 mtt -54.32 -49.91 68.58 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.519 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -51.02 -22.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.11 -0.636 . . . . 1.0 109.678 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 5.7 t -91.32 -27.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.756 0.312 . . . . 1.0 110.601 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' O ' ' OG ' ' A' ' 73' ' ' SER . 56.7 mt-10 -97.28 -55.54 2.81 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.025 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' SER . 15.5 mt -63.97 -59.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.87 -36.81 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.903 -0.719 . . . . 1.0 109.608 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 9.8 m-20 -69.62 -10.92 60.18 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 m -90.56 -51.62 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.35 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.0 -51.43 68.08 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 76' ' ' GLU . 15.3 tt -49.74 -45.88 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.554 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 80' ' ' ASP . 65.8 tt0 -80.72 -22.86 39.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.973 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.14 -53.93 52.71 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.452 -0.499 . . . . 1.0 110.3 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.97 -32.63 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 1.0 109.433 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.82 -24.06 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.783 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 t0 -78.17 -103.55 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 85.1 mtt-85 -98.43 -10.51 23.55 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.6 tt 34.23 98.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.14 0.495 . . . . 1.0 111.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.09 56.83 0.5 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.731 -0.948 . . . . 1.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p -54.73 170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.0 110.674 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.5 161.44 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.17 -19.13 34.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.53 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.62 -26.06 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.062 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -44.6 121.99 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 1.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER 177.64 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.97 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.1 p -70.52 39.74 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.45 169.06 0.06 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.599 -1.0 . . . . 1.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.0 25.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.235 0.54 . . . . 1.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.34 63.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.6 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.62 -27.56 67.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.733 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -44.73 -37.8 3.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -71.89 -45.67 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.968 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.05 -36.7 93.33 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.64 -32.6 8.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.775 0.322 . . . . 1.0 111.047 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.08 -46.63 10.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.88 -20.68 24.43 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.884 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 97' ' ' GLY . 20.2 t -66.7 -58.28 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.32 -49.99 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.452 -0.499 . . . . 1.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.71 ' O ' HG22 ' A' ' 107' ' ' VAL . 35.1 pt -79.13 -25.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -40.85 -44.54 2.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.007 0.432 . . . . 1.0 109.918 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.6 mt -69.09 -38.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.536 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 17.7 mt -74.92 -63.76 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.945 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.951 -178.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.609 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.54 -32.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.952 0.406 . . . . 1.0 111.392 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.9 t -89.27 -75.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.6 mm -50.23 -33.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.525 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.468 ' OG1' ' NH2' ' B' ' 55' ' ' ARG . 3.5 t -58.95 -44.13 91.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.442 ' N ' ' CG2' ' A' ' 111' ' ' THR . 47.3 t90 -76.34 -29.11 57.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.31 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.32 -58.38 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.921 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 115' ' ' LEU . 2.3 pp -62.7 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.891 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 114' ' ' ILE . 14.6 tp -57.55 -37.29 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.56 -41.57 96.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.743 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.04 -20.4 16.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.154 0.502 . . . . 1.0 109.743 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 m -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.02 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -62.85 -37.62 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -160.33 141.58 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.53 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.006 -1.441 . . . . 1.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -67.77 107.55 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -62.32 -4.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.5 m 50.93 77.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 65.9 p -78.29 -31.57 48.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.2 13.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.18 -29.05 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -65.03 -40.34 94.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 57.8 mtp85 -59.63 -38.69 82.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.57 -46.96 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.43 -49.25 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.093 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -65.86 -35.11 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.387 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.521 ' O ' ' CE1' ' B' ' 16' ' ' TYR . . . -61.36 -40.36 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.21 -14.36 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.8 -16.49 54.55 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.23 -0.748 . . . . 1.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' B' ' 13' ' ' ALA . 34.2 m-85 41.49 40.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.418 . . . . 1.0 110.755 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -53.12 -28.57 26.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.596 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -49.82 -37.46 30.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.673 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -59.84 -36.83 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.623 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.52 80.64 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.595 HD22 ' N ' ' B' ' 21' ' ' LEU . 3.3 mm? -73.14 -32.27 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 1.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -65.49 -46.92 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.627 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.85 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.587 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.4 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -47.3 -60.12 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.456 . . . . 1.0 110.15 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.83 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 27' ' ' ASN . 36.4 t-20 -107.83 43.33 1.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.923 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 18.1 tt0 164.52 -70.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.526 0.516 . . . . 1.0 110.298 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.05 2.65 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.389 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.75 -30.33 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.777 0.323 . . . . 1.0 111.448 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.51 -48.62 7.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.199 0.524 . . . . 1.0 110.793 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.79 66.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -59.57 5.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.512 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 61.5 tt0 -47.72 -22.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.086 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.81 -53.44 1.53 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.671 -0.572 . . . . 1.0 111.671 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.33 -45.11 18.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.557 0.217 . . . . 1.0 110.634 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.62 -60.16 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 42' ' ' VAL . 95.8 t -38.35 -19.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.388 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.6 tp -87.28 -52.71 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 37' ' ' ALA . 13.9 mt -66.97 -36.15 81.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.17 62.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.397 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 38' ' ' VAL . 22.6 t -83.17 -37.98 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.81 -48.16 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.399 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.434 HG21 HD21 ' A' ' 115' ' ' LEU . 61.8 mt -74.53 -46.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.765 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.73 55.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.336 . . . . 1.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 69.0 m -57.83 -48.68 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.63 -46.12 39.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.976 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 53.1 tp -173.25 132.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.258 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -157.39 108.4 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -154.96 51.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 114' ' ' ILE . 6.1 m-20 -84.41 -172.29 4.09 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' ILE . . . -82.86 2.9 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' C' ' 52' ' ' ALA . 3.8 mt 69.46 -2.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.203 0.525 . . . . 1.0 110.417 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.2 m -43.83 -37.87 3.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.468 ' NH2' ' OG1' ' A' ' 111' ' ' THR . 37.3 ttt180 -48.17 -39.18 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 1.0 110.608 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.47 -43.84 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.692 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.512 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.1 tt -49.56 -55.68 12.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.214 -0.594 . . . . 1.0 110.452 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.36 -43.05 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.934 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 63' ' ' MET . 96.6 mt -67.7 -54.9 19.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.735 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.9 p -49.8 -43.82 48.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.123 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 74.6 m -64.05 -63.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 1.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.26 -28.25 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.476 ' N ' ' O ' ' B' ' 59' ' ' ILE . 39.8 ttp -58.63 -30.25 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.11 -41.32 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.704 -0.851 . . . . 1.0 108.704 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.17 -38.97 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.261 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.7 mtt -54.33 -49.89 68.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.571 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.454 HG23 ' O ' ' B' ' 63' ' ' MET . 0.1 OUTLIER -51.06 -22.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.657 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 5.6 t -91.27 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.592 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.427 ' O ' ' OG ' ' B' ' 73' ' ' SER . 56.6 mt-10 -97.16 -55.7 2.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.53 -0.304 . . . . 1.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 15.3 mt -63.88 -59.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.076 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.85 -36.78 49.56 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.633 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 9.9 m-20 -69.56 -10.97 60.37 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.4 m -90.57 -51.64 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.242 -0.89 . . . . 1.0 109.36 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -51.57 67.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.821 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 15.2 tt -49.6 -45.99 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.512 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 80' ' ' ASP . 65.4 tt0 -80.64 -22.9 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.977 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.14 -53.99 51.98 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.189 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.92 -32.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.473 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -85.73 -24.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.834 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.9 t0 -78.21 -103.58 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.16 0.429 . . . . 1.0 112.16 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 82' ' ' ILE . 85.0 mtt-85 -98.4 -10.54 23.58 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.819 0.303 . . . . 1.0 111.819 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.6 tt 34.31 98.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 121.061 0.458 . . . . 1.0 111.601 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.11 56.82 0.5 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.58 170.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.321 . . . . 1.0 110.74 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.42 161.42 14.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.23 -19.0 34.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.507 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.75 -26.01 56.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.035 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.45 121.96 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.682 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER 177.6 -44.02 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.992 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.9 p -70.53 39.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 55.39 169.1 0.06 OUTLIER Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.588 -1.005 . . . . 1.0 110.588 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -87.33 -21.99 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.096 0.474 . . . . 1.0 109.773 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -51.46 63.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.647 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.52 -27.54 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.79 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.81 -37.76 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.885 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' B' ' 96' ' ' MET . 0.1 OUTLIER -71.98 -45.56 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.581 -0.448 . . . . 1.0 109.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.13 -36.73 93.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -48.56 -32.63 8.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.729 0.3 . . . . 1.0 111.031 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.17 -46.61 10.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.746 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.84 -20.68 24.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.934 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 97' ' ' GLY . 20.4 t -66.69 -58.32 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.31 -50.01 65.84 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.45 -0.5 . . . . 1.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.729 ' O ' HG22 ' B' ' 107' ' ' VAL . 35.2 pt -79.07 -25.92 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -40.89 -44.56 2.33 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.467 ' O ' HG23 ' B' ' 109' ' ' VAL . 67.9 mt -69.07 -38.46 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.504 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' B' ' 103' ' ' ILE . 17.6 mt -74.92 -63.9 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.729 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.2 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.911 -178.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.618 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.44 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.946 0.403 . . . . 1.0 111.363 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.4 t -89.24 -75.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.771 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 mm -50.18 -33.82 10.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.574 -0.285 . . . . 1.0 111.56 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.468 ' OG1' ' CZ ' ' C' ' 55' ' ' ARG . 3.5 t -59.11 -44.0 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.475 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' TRP . . . . . 0.441 ' N ' ' CG2' ' B' ' 111' ' ' THR . 47.1 t90 -76.3 -29.14 57.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.312 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.31 -58.28 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.024 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.481 HD12 ' N ' ' B' ' 115' ' ' LEU . 2.3 pp -62.82 -42.58 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.933 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.481 ' N ' HD12 ' B' ' 114' ' ' ILE . 14.5 tp -57.67 -37.06 72.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.79 -41.45 95.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.78 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -56.13 -20.4 17.39 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 8.8 m -57.61 -29.32 64.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.027 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.84 -37.7 87.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.29 141.52 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 117.954 -1.47 . . . . 1.0 110.971 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -67.87 107.7 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -62.39 -4.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m 50.93 77.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.4 p -78.13 -31.72 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLY . . . . . 0.429 ' H ' ' H ' ' C' ' 7' ' ' PHE . . . 172.24 13.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.429 ' H ' ' H ' ' C' ' 6' ' ' GLY . 87.3 m-85 -65.24 -28.9 69.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 1.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.19 -40.28 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 57.7 mtp85 -59.6 -38.73 82.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.383 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.48 -46.94 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.383 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.5 -49.14 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.157 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.9 -35.18 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.329 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -61.31 -40.35 93.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -14.37 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.676 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.93 -16.34 54.58 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 34.4 m-85 41.45 40.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 1.0 110.696 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -53.2 -27.69 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.713 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -50.28 -37.6 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.579 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -59.76 -36.85 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -35.42 80.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.071 -0.811 . . . . 1.0 111.071 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.582 HD22 ' N ' ' C' ' 21' ' ' LEU . 3.3 mm? -73.17 -32.33 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 1.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -65.47 -46.92 77.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.83 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -30.39 29.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -47.33 -60.08 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 1.0 110.152 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.66 -13.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' C' ' 27' ' ' ASN . 36.4 t-20 -107.75 43.27 1.22 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.847 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' C' ' 27' ' ' ASN . 18.4 tt0 164.56 -70.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.443 0.465 . . . . 1.0 110.248 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 2.6 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.458 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.79 -30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.811 0.338 . . . . 1.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.62 -48.62 7.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.471 . . . . 1.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.74 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 1.0 110.12 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -59.5 5.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.454 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 62.3 tt0 -47.76 -22.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.042 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.8 -53.43 1.53 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.719 -0.552 . . . . 1.0 111.719 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.4 -45.08 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.491 0.186 . . . . 1.0 110.588 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.6 -60.09 4.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.543 ' O ' HG23 ' C' ' 42' ' ' VAL . 95.2 t -38.51 -19.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.426 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.2 tp -87.23 -52.68 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.498 -0.927 . . . . 1.0 108.498 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' C' ' 37' ' ' ALA . 13.9 mt -67.06 -36.15 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.175 -0.92 . . . . 1.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.55 -24.11 62.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.421 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 38' ' ' VAL . 22.8 t -83.19 -38.05 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.903 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.68 -48.18 37.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.428 HG21 HD21 ' B' ' 115' ' ' LEU . 62.3 mt -74.52 -46.06 43.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.728 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.61 55.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.411 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -48.8 -45.94 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.039 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 52.8 tp -173.3 132.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.335 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -157.54 108.47 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.425 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.94 51.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.788 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 114' ' ' ILE . 6.1 m-20 -84.29 -172.27 4.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' B' ' 53' ' ' ILE . . . -82.88 2.87 32.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.58 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.8 mt 69.49 -2.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.501 . . . . 1.0 110.374 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 8.9 m -43.66 -37.99 2.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.468 ' CZ ' ' OG1' ' B' ' 111' ' ' THR . 37.2 ttt180 -48.12 -39.32 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.01 0.433 . . . . 1.0 110.583 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.29 -43.91 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 1.0 111.655 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.516 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.1 tt -49.62 -55.66 12.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.466 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.33 -43.04 64.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' C' ' 63' ' ' MET . 96.6 mt -67.76 -54.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.79 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.69 -43.91 47.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.156 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 74.3 m -64.05 -63.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.344 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.11 -28.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.627 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.444 ' N ' ' O ' ' C' ' 59' ' ' ILE . 39.8 ttp -58.68 -30.24 67.22 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.11 -41.34 96.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -67.11 -38.98 82.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.249 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.471 ' O ' ' N ' ' C' ' 70' ' ' ILE . 34.7 mtt -54.47 -49.83 69.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.511 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 67' ' ' ILE . . . . . 0.439 HG23 ' O ' ' C' ' 63' ' ' MET . 0.1 OUTLIER -51.09 -22.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.073 -0.651 . . . . 1.0 109.689 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 5.6 t -91.3 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.736 0.303 . . . . 1.0 110.639 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' C' ' 73' ' ' SER . 56.6 mt-10 -97.17 -55.63 2.79 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.029 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' C' ' 66' ' ' MET . 15.5 mt -63.96 -59.3 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.04 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.82 -36.76 49.14 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.645 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 9.8 m-20 -69.68 -10.88 60.02 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.471 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 m -90.49 -51.71 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.415 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.56 67.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.834 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.483 HG23 ' N ' ' C' ' 76' ' ' GLU . 15.2 tt -49.63 -46.0 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.512 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 80' ' ' ASP . 65.9 tt0 -80.61 -22.89 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.17 -53.95 52.47 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.259 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.96 -32.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.71 -24.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.711 . . . . 1.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 t0 -78.1 -103.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 82' ' ' ILE . 85.2 mtt-85 -98.47 -10.57 23.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.6 tt 34.43 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.086 0.47 . . . . 1.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.0 56.85 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.72 170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 1.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.41 161.4 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.672 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.21 -19.12 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.484 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.7 -26.05 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.56 122.04 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 1.0 110.645 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.8 OUTLIER 177.58 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.033 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 22.2 p -70.49 39.64 0.05 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.46 169.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.01 25.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 1.0 109.792 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.43 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.688 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -66.49 -27.67 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.675 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.73 -37.83 4.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' C' ' 96' ' ' MET . 0.1 OUTLIER -71.9 -45.53 60.93 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.028 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.78 93.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.49 -32.69 8.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 111.108 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.12 -46.59 10.3 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.144 -0.688 . . . . 1.0 109.144 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.95 -20.66 24.82 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.859 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.76 -58.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.46 -49.85 66.55 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.149 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.713 ' O ' HG22 ' C' ' 107' ' ' VAL . 35.4 pt -79.02 -25.93 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -40.96 -44.53 2.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.461 ' O ' HG23 ' C' ' 109' ' ' VAL . 67.9 mt -68.98 -38.56 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.893 -0.594 . . . . 1.0 109.521 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' C' ' 103' ' ' ILE . 17.8 mt -74.92 -63.81 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.864 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.713 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.8 OUTLIER -48.9 -70.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.944 -178.048 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.604 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.42 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.927 0.394 . . . . 1.0 111.326 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 44.0 t -89.26 -75.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.811 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 20.8 mm -50.34 -33.74 10.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.595 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.47 ' OG1' ' NH2' ' A' ' 55' ' ' ARG . 3.5 t -58.99 -44.13 91.58 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.464 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 112' ' ' TRP . . . . . 0.451 ' N ' ' CG2' ' C' ' 111' ' ' THR . 46.8 t90 -76.33 -29.12 57.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.29 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 13.2 t -65.34 -58.33 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.484 HD12 ' N ' ' C' ' 115' ' ' LEU . 2.3 pp -62.73 -42.68 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.86 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.484 ' N ' HD12 ' C' ' 114' ' ' ILE . 14.6 tp -57.68 -37.03 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.88 -41.39 95.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.738 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.19 -20.39 17.79 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 8.4 m -57.57 -29.36 64.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.012 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.71 -37.86 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.671 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.26 141.63 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.497 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 118.019 -1.434 . . . . 1.0 110.932 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.49 6.0 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.2 132.49 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.28 -59.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -161.73 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.589 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.48 -42.43 13.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -75.22 -28.51 59.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 1.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -69.45 -36.56 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 73.8 ttt180 -59.18 -42.69 91.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.429 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.99 -49.11 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.97 -49.12 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.042 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.76 -36.8 84.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.44 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' O ' ' CD2' ' A' ' 16' ' ' TYR . . . -61.53 -34.14 75.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -80.33 -14.35 58.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -40.3 -34.16 0.6 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -75.58 19.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 1.0 110.451 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' ALA . 39.8 m -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.646 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -54.17 -41.17 68.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -62.04 -37.15 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.04 -31.51 18.36 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 1.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -65.44 -48.93 71.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.24 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -31.65 69.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.506 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.652 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.2 -61.99 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.456 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.4 mm-40 -126.83 -48.38 1.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.657 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -57.79 -2.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -39.15 -22.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.259 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 29.6 p90 -84.73 -42.75 14.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 1.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 68.1 ttt180 -62.42 -33.07 74.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.65 -64.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 1.0 109.234 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -44.54 -35.18 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.518 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.55 -58.44 8.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.4 t -49.13 -35.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.502 -0.349 . . . . 1.0 110.108 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -7.26 15.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.749 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.3 t -96.59 -24.09 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.331 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.95 -62.56 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.752 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -49.62 -42.37 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.51 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HE ' ' A' ' 55' ' ' ARG . . . -61.88 -34.91 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.0 t -81.94 -41.56 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.31 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 72.3 t -50.18 -44.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 1.0 110.278 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 pt -74.04 -43.13 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.341 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.35 -46.48 72.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.666 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.86 -48.6 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 10.8 m0 -54.06 -35.22 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.14 103.15 0.37 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.18 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.28 102.0 11.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.944 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 m -150.87 23.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.4 102.08 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.4 -23.3 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.042 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.9 -40.07 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HE ' ' HB1' ' A' ' 41' ' ' ALA . 62.2 ttt-85 -78.87 -47.9 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.408 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -52.93 -47.54 52.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.378 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -48.62 44.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 4.6 tp -49.73 -52.14 33.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.22 -34.59 67.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.0 110.434 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -57.2 -56.26 24.09 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.139 -0.689 . . . . 1.0 109.139 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.42 -52.48 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' LEU . 79.0 t -56.43 -48.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.046 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.11 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.564 -0.454 . . . . 1.0 109.969 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.78 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.298 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.08 -33.25 62.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.39 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -49.64 -27.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.045 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -82.73 -43.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.339 . . . . 1.0 111.224 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ASN . 11.7 mm-40 -91.15 -74.69 0.49 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.4 mp -36.73 -55.89 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.507 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -49.15 -41.75 37.34 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.688 -0.805 . . . . 1.0 110.057 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' GLU . 12.4 m-20 -76.08 -10.89 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 1.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 6.5 p -89.8 -55.97 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.292 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.16 -52.66 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.573 -0.74 . . . . 1.0 109.758 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.657 HG23 HG22 ' C' ' 78' ' ' VAL . 1.2 mp -51.06 -49.09 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.77 -27.2 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.849 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.37 -51.17 70.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.667 -0.413 . . . . 1.0 109.973 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG22 HG23 ' B' ' 75' ' ' ILE . 2.1 t -53.33 -31.25 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.696 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.56 -24.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.062 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -82.6 -111.3 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.741 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 82' ' ' ILE . 93.7 mtt-85 -105.95 -36.71 6.89 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.882 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.3 tt 36.42 97.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.343 0.592 . . . . 1.0 111.298 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.36 -144.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 1.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.85 178.99 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 49.2 t80 -83.86 -16.04 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.763 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 1.3 m80 -79.51 -10.79 59.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 89' ' ' LEU . 19.3 tt0 -76.17 27.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 mp -106.99 -22.63 12.6 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.442 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 10.3 m -69.4 35.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.115 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.23 170.46 0.03 OUTLIER Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.619 -0.992 . . . . 1.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -88.77 -20.43 24.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 1.0 109.846 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -51.14 63.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.667 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.12 -29.8 69.64 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.148 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.9 mtt -74.13 -45.15 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.464 -0.494 . . . . 1.0 109.837 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -61.43 -39.07 96.78 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.1 t -49.25 -27.61 3.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.0 110.571 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.16 -45.63 10.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.89 41.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLY . 63.5 t -70.76 -62.45 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.721 0.296 . . . . 1.0 111.714 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 102' ' ' LEU . 9.4 mp -51.85 -47.69 64.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.2 0.524 . . . . 1.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 106' ' ' ILE . 13.4 pt -73.09 -21.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.145 -0.622 . . . . 1.0 110.903 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -37.1 -49.6 0.88 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.91 0.386 . . . . 1.0 110.646 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 109' ' ' VAL . 16.2 tt -70.12 -38.87 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.086 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 103' ' ' ILE . 28.6 mt -68.52 -35.33 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.741 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 109' ' ' VAL . 61.3 t -65.24 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.49 -28.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.539 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 107' ' ' VAL . 48.5 t -92.63 -83.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.716 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.8 mm -45.18 -34.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.041 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -62.46 -41.17 98.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.45 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -68.81 -26.33 65.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.458 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.8 -58.85 5.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.421 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -67.21 -40.3 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.624 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.38 -42.6 78.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.543 -0.539 . . . . 1.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.67 -42.25 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.28 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -49.26 -24.91 2.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -26.71 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.09 -12.68 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.559 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 75.9 t80 -55.86 170.58 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.999 -1.445 . . . . 1.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.58 6.07 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.27 132.47 50.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.511 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.3 -59.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -161.67 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.591 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.5 -42.39 13.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -75.19 -28.49 60.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 1.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -69.46 -36.62 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 73.7 ttt180 -59.17 -42.67 91.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.02 -49.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.343 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.94 -49.07 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.157 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.75 -36.86 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.454 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' B' ' 16' ' ' TYR . . . -61.56 -34.03 74.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.561 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -80.37 -14.36 58.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 17' ' ' SER . . . -40.29 -34.22 0.6 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' B' ' 13' ' ' ALA . 0.7 OUTLIER -75.52 19.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 1.0 110.446 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 14' ' ' ALA . 40.3 m -65.31 -31.18 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -54.24 -41.14 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -62.01 -37.11 83.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.08 -31.47 18.56 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 1.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -65.41 -49.0 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.23 67.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.537 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -31.67 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -62.72 1.28 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.523 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.15 -62.04 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.438 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 14.3 mm-40 -126.82 -48.28 1.51 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -57.84 -2.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -39.18 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.319 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 29.8 p90 -84.65 -42.88 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.182 0.515 . . . . 1.0 110.061 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 69.0 ttt180 -62.4 -33.03 73.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.427 -0.806 . . . . 1.0 109.825 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.63 -64.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.202 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -44.57 -35.1 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.528 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.67 -58.34 8.59 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.8 t -49.14 -35.21 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.364 . . . . 1.0 110.124 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -7.23 15.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.47 ' O ' HG23 ' B' ' 42' ' ' VAL . 40.5 t -96.64 -24.06 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.412 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.88 -62.58 1.44 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.546 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -49.48 -42.49 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.512 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' HB1' ' HE ' ' B' ' 55' ' ' ARG . . . -61.89 -34.87 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 38' ' ' VAL . 88.9 t -81.99 -41.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.268 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' B' ' 47' ' ' TRP . 72.1 t -50.08 -44.45 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.389 . . . . 1.0 110.349 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.9 pt -74.14 -43.07 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.356 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.53 72.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.87 -48.6 78.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.438 ' CD1' ' O ' ' B' ' 43' ' ' VAL . 10.7 m0 -54.14 -35.16 61.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.362 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.18 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.127 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.24 102.0 11.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.002 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.85 23.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.117 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.23 102.07 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.68 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.56 -87.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 1.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 pt -135.51 -23.17 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.055 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -40.0 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.446 ' HE ' ' HB1' ' B' ' 41' ' ' ALA . 62.1 ttt-85 -78.92 -47.87 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.397 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 t -52.86 -47.59 51.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.354 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.22 -48.59 45.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.42 ' O ' HG23 ' B' ' 62' ' ' VAL . 4.6 tp -49.75 -52.07 34.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.22 -34.63 67.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.975 0.417 . . . . 1.0 110.388 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -57.33 -56.06 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.33 -52.58 57.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.973 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 58' ' ' LEU . 79.2 t -56.45 -48.57 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.998 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.03 -47.88 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.555 -0.458 . . . . 1.0 109.977 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.79 -48.81 77.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.06 -33.31 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.685 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.17 -50.53 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.5 mt -49.61 -27.62 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.068 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.85 -43.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 72' ' ' ASN . 11.8 mm-40 -91.06 -74.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' B' ' 73' ' ' SER . 1.4 mp -36.68 -55.93 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.517 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.93 -42.06 35.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.738 -0.785 . . . . 1.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 69' ' ' GLU . 12.1 m-20 -75.9 -10.95 59.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 1.0 110.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' B' ' 74' ' ' ALA . 6.6 p -89.71 -56.02 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.3 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.495 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.2 -52.62 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.762 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.655 HG23 HG22 ' A' ' 78' ' ' VAL . 1.2 mp -51.06 -48.98 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.726 -0.842 . . . . 1.0 108.726 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -69.91 -27.23 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.24 -51.23 70.65 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.057 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.652 HG22 HG23 ' C' ' 75' ' ' ILE . 2.1 t -53.36 -31.28 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.653 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.49 -24.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.143 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.51 -111.42 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' B' ' 82' ' ' ILE . 93.4 mtt-85 -105.9 -36.6 6.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.908 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.3 tt 36.47 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.307 0.575 . . . . 1.0 111.304 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.35 -144.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.764 0.316 . . . . 1.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.85 178.97 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.66 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 49.1 t80 -83.88 -15.99 46.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 1.4 m80 -79.49 -10.88 59.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.88 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.471 ' C ' HD12 ' B' ' 89' ' ' LEU . 19.2 tt0 -76.11 27.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 mp -106.99 -22.74 12.57 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.452 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 9.6 m -69.31 35.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 1.0 111.216 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.27 170.47 0.03 OUTLIER Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.61 -20.59 24.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.084 0.469 . . . . 1.0 109.957 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.17 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.635 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -67.29 -29.72 69.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.99 -38.64 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.143 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.21 -45.03 50.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.882 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -61.5 -39.09 96.85 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 30.8 t -49.3 -27.56 3.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.322 . . . . 1.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.04 -45.63 10.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -21.77 42.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.666 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 97' ' ' GLY . 62.4 t -70.74 -62.42 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.74 0.305 . . . . 1.0 111.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 102' ' ' LEU . 9.4 mp -51.88 -47.65 64.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.211 0.529 . . . . 1.0 111.066 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 106' ' ' ILE . 13.3 pt -73.16 -21.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.919 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.93 -49.71 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.025 0.441 . . . . 1.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 109' ' ' VAL . 16.1 tt -70.08 -38.88 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.106 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 103' ' ' ILE . 28.7 mt -68.47 -35.45 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.728 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 109' ' ' VAL . 61.3 t -65.08 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.929 0.395 . . . . 1.0 110.018 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.52 -28.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.501 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' B' ' 107' ' ' VAL . 48.6 t -92.74 -83.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.656 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.13 -34.92 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.043 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 19.4 m -62.41 -41.2 98.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.461 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -68.8 -26.34 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 60.2 m -64.72 -58.94 4.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.461 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.62 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.39 -42.54 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.73 -42.28 67.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.29 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -49.11 -25.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.635 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.04 -12.65 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.658 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 75.9 t80 -55.95 170.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.507 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 118.018 -1.434 . . . . 1.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.61 6.03 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -56.2 132.44 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.23 -59.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -161.59 -43.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.55 -42.39 13.93 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -75.24 -28.42 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 1.0 110.602 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -69.37 -36.62 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.525 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 73.5 ttt180 -59.23 -42.61 91.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.462 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.05 -49.1 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.302 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.89 -49.16 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.72 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.482 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' C' ' 16' ' ' TYR . . . -61.43 -34.15 74.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.601 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -80.34 -14.34 58.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' C' ' 17' ' ' SER . . . -40.35 -34.18 0.62 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.695 -0.562 . . . . 1.0 111.695 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' C' ' 13' ' ' ALA . 0.7 OUTLIER -75.52 19.58 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.351 . . . . 1.0 110.43 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.468 ' N ' ' O ' ' C' ' 14' ' ' ALA . 40.9 m -65.17 -31.36 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -54.26 -41.17 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -61.93 -37.28 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.94 -31.42 17.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.25 -31.28 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 1.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.498 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.3 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.51 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.63 69.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.506 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.21 -13.37 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.621 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.16 -61.93 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.442 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' C' ' 30' ' ' ALA . 14.4 mm-40 -126.92 -48.27 1.49 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -57.81 -2.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.769 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -39.08 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.316 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 29.5 p90 -84.73 -42.83 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.18 0.514 . . . . 1.0 109.994 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 68.9 ttt180 -62.48 -33.02 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.7 -64.26 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.2 OUTLIER -44.58 -35.11 2.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.564 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.59 -58.42 8.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.1 -35.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.458 -0.371 . . . . 1.0 110.17 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -7.35 15.92 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.463 ' O ' HG23 ' C' ' 42' ' ' VAL . 40.5 t -96.57 -24.13 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.34 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.87 -62.66 1.42 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.705 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.539 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.9 OUTLIER -49.53 -42.41 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.524 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . 0.45 ' HB1' ' HE ' ' C' ' 55' ' ' ARG . . . -61.93 -34.84 76.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 38' ' ' VAL . 89.9 t -82.01 -41.58 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.272 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' C' ' 47' ' ' TRP . 71.4 t -50.06 -44.52 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 1.0 110.366 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 pt -73.98 -43.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.383 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.49 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.8 -48.68 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.494 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' C' ' 43' ' ' VAL . 10.8 m0 -53.98 -35.33 61.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.339 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.17 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.119 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.33 102.04 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.949 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.92 23.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.059 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.34 102.09 3.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.48 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 pt -135.47 -23.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.89 -40.14 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' HB1' ' C' ' 41' ' ' ALA . 61.9 ttt-85 -78.89 -47.82 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.416 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 t -52.87 -47.68 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.09 -48.68 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 62' ' ' VAL . 4.6 tp -49.72 -52.01 34.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.28 -34.66 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 120.906 0.384 . . . . 1.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.1 m -57.12 -56.24 24.31 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.203 -0.665 . . . . 1.0 109.203 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 36.2 t -64.52 -52.42 57.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 58' ' ' LEU . 78.9 t -56.55 -48.59 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.003 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -57.99 -47.82 81.85 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.011 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.77 -48.77 77.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.17 -33.17 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -49.59 -27.58 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.056 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.85 -43.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 1.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 72' ' ' ASN . 11.8 mm-40 -90.99 -74.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.035 -0.357 . . . . 1.0 110.035 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' C' ' 73' ' ' SER . 1.4 mp -36.69 -55.94 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.692 -0.686 . . . . 1.0 110.469 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -49.12 -41.83 37.25 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.664 -0.814 . . . . 1.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 69' ' ' GLU . 12.4 m-20 -75.91 -10.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' C' ' 74' ' ' ALA . 7.0 p -89.77 -55.96 3.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.356 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.17 -52.68 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.722 . . . . 1.0 109.718 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.652 HG23 HG22 ' B' ' 78' ' ' VAL . 1.2 mp -50.97 -49.19 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.81 -27.14 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.805 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.4 -51.24 70.64 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 75' ' ' ILE . 2.1 t -53.33 -31.23 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-N 115.526 -0.761 . . . . 1.0 109.678 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.57 -24.22 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.111 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.49 -111.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.708 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 82' ' ' ILE . 93.3 mtt-85 -105.84 -36.76 6.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.936 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.3 tt 36.48 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.304 0.573 . . . . 1.0 111.354 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.3 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.11 100.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 1.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.86 179.0 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 49.3 t80 -83.83 -16.03 46.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 1.3 m80 -79.56 -10.8 59.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.466 ' C ' HD12 ' C' ' 89' ' ' LEU . 19.2 tt0 -76.18 27.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.945 0.402 . . . . 1.0 110.446 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 mp -107.02 -22.63 12.59 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.48 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 91' ' ' GLY . 10.4 m -69.34 35.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.28 170.44 0.03 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.75 -20.46 24.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.025 0.441 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.07 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.641 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.26 -29.73 69.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.794 -0.362 . . . . 1.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.03 -38.64 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.164 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 30.2 mtt -74.13 -45.08 51.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.446 -0.502 . . . . 1.0 109.882 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -61.57 -38.98 96.72 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.211 -1.156 . . . . 1.0 110.211 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -27.63 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 1.0 110.625 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.0 -45.69 10.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.67 -21.76 42.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.608 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 97' ' ' GLY . 62.8 t -70.76 -62.48 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.698 0.285 . . . . 1.0 111.685 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 102' ' ' LEU . 9.4 mp -51.84 -47.72 64.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.208 0.528 . . . . 1.0 111.036 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 106' ' ' ILE . 13.3 pt -73.07 -21.35 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.861 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -37.04 -49.58 0.85 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.022 0.439 . . . . 1.0 110.672 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' C' ' 109' ' ' VAL . 16.1 tt -70.17 -38.93 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.004 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' C' ' 103' ' ' ILE . 28.3 mt -68.4 -35.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.769 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' C' ' 109' ' ' VAL . 60.5 t -65.12 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.56 -28.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.54 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' C' ' 107' ' ' VAL . 48.7 t -92.67 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.7 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.19 -34.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.006 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 19.3 m -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -68.91 -26.29 65.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.423 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.73 -58.93 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.45 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.411 ' H ' HG22 ' C' ' 114' ' ' ILE . 0.0 OUTLIER -67.2 -40.27 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.635 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.38 -42.64 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.72 -42.26 67.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.245 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -49.07 -24.93 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.629 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -68.1 -12.72 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.568 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 75.8 t80 -55.83 170.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.01 -1.439 . . . . 1.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.96 -139.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -158.44 152.89 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.1 p -152.94 -59.49 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -163.81 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.33 59.92 0.08 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -63.24 -30.54 71.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 1.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.64 -36.61 79.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 68.5 mtm180 -58.15 -39.29 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.37 -48.41 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.302 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.28 -49.02 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -65.65 -36.14 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . . . -63.84 -41.85 97.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.47 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.92 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -92.2 31.32 6.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' A' ' 13' ' ' ALA . 64.8 m-85 -44.28 -19.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 1.0 110.664 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' GLY . 94.6 p -53.48 -24.19 12.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.683 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -50.04 -37.17 31.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 48.6 pttt -54.02 -40.33 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.388 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' LYS . . . -68.83 -32.73 74.16 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.77 -44.69 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 1.0 110.314 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 52.0 ttt85 -57.26 -31.7 65.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.381 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.78 -26.15 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -66.59 -29.46 69.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 1.0 112.043 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -46.79 -10.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.91 -0.316 . . . . 1.0 111.804 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' ALA . 19.1 mt -95.89 -30.26 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.86 0.362 . . . . 1.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.8 m120 -108.19 44.13 1.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.811 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -179.9 -86.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.043 0.449 . . . . 1.0 110.669 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -70.35 4.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ALA . . . -36.13 -32.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.707 0.289 . . . . 1.0 111.709 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ALA . 37.6 t80 -95.72 -43.18 8.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.882 0.372 . . . . 1.0 111.089 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.9 -27.51 67.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 1.0 109.531 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.0 tp60 -59.97 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.049 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -41.98 -22.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.551 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.62 -48.32 3.0 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.248 -0.741 . . . . 1.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.95 -41.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.315 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -57.01 -62.92 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.9 t -35.22 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.528 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -89.91 -49.76 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 70.6 mt -65.04 -35.49 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.749 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB1' ' NH2' ' A' ' 55' ' ' ARG . . . -69.78 -25.2 63.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.113 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.4 t -78.72 -38.6 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -49.49 -47.91 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.193 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -74.25 -44.18 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.31 -48.77 46.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.675 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.36 -46.18 89.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.54 -49.07 79.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.432 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.26 101.77 4.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.295 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.64 96.58 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.663 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 51' ' ' ASP . 47.6 t -147.53 -98.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.397 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' VAL . 4.6 p-10 40.24 95.27 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.762 0.315 . . . . 1.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.71 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.769 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -49.1 -28.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.205 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.12 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.101 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' NH2' ' HB1' ' A' ' 41' ' ' ALA . 69.6 ttt180 -79.91 -48.08 14.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.77 -37.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.041 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.02 -46.07 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.22 -51.11 56.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.438 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 77.2 mt -66.02 -53.56 36.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.058 0.456 . . . . 1.0 110.148 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 m -46.42 -50.54 16.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.069 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.5 t -64.18 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.689 0.281 . . . . 1.0 111.688 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.8 -32.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.156 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 10.9 tmm? -62.03 -42.07 98.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.593 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.72 -50.71 63.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.952 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 93.7 t -60.86 -36.63 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.869 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLU . 19.8 mtt -57.32 -49.99 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.045 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.7 mt -44.34 -24.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 1.0 110.154 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.68 -31.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 1.0 111.254 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -95.22 -47.92 6.14 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.095 0.405 . . . . 1.0 112.095 -178.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.0 pt -69.86 -50.83 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 70' ' ' ILE . 5.8 tp -49.91 -40.76 44.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.358 -0.537 . . . . 1.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.515 HD22 ' H ' ' C' ' 85' ' ' GLU . 4.5 m120 -75.36 -12.48 60.27 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.8 t -89.92 -56.33 3.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.064 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.87 65.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.117 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 71' ' ' LEU . 11.3 tt -51.16 -43.41 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.625 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 84.1 mt-10 -80.95 -23.66 38.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.583 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.85 -52.88 63.64 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.983 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 75' ' ' ILE . 3.5 p -53.37 -31.67 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.8 t -85.27 -24.01 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.677 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.5 m-20 -77.36 -103.82 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.024 0.379 . . . . 1.0 112.024 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 82' ' ' ILE . 63.1 mtp180 -100.37 -8.84 22.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.669 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.0 tt 34.4 99.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 1.0 111.846 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -133.67 -69.22 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.45 -1.06 . . . . 1.0 110.45 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.5 m 42.07 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.97 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' H ' HD22 ' B' ' 72' ' ' ASN . 87.4 mt-10 -51.15 127.44 19.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.51 -16.11 46.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.727 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.4 m-70 -76.09 -63.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.536 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' HIS . 8.8 pt-20 26.54 47.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.636 0.585 . . . . 1.0 112.339 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.867 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.5 pt? -103.72 -22.09 13.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.625 0.25 . . . . 1.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 38.7 t -73.3 32.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.766 0.317 . . . . 1.0 110.898 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.99 168.66 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.574 -1.01 . . . . 1.0 110.574 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.419 ' O ' ' SD ' ' A' ' 96' ' ' MET . 22.5 ptt180 -85.85 -24.97 26.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 1.0 109.734 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -52.1 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLY . 66.8 tttt -67.47 -29.57 69.06 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.1 -38.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.643 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.72 -43.88 71.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.221 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.56 -36.73 92.84 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -33.95 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.711 -0.288 . . . . 1.0 111.348 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.54 5.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.45 59.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.0 t -69.91 -65.45 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.395 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.15 -47.45 68.75 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.551 0.691 . . . . 1.0 110.262 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' VAL . 1.4 tp -68.25 -18.3 23.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.409 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -47.87 -49.58 29.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.777 0.322 . . . . 1.0 110.924 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.13 -41.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.228 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.78 -30.45 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.717 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 108' ' ' ALA . 2.7 t -80.91 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 121.159 -0.217 . . . . 1.0 110.544 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -36.84 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 1.0 111.458 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' VAL . 26.1 t -92.44 -81.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.386 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.52 -34.72 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 115' ' ' LEU . 31.0 m -61.53 -54.13 47.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.684 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.81 -27.57 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 1.0 110.431 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 52.8 m -65.67 -57.98 6.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.029 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.412 HD13 ' N ' ' B' ' 55' ' ' ARG . 29.0 mt -65.71 -38.08 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.662 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 111' ' ' THR . 3.8 mp -53.71 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.54 -36.11 73.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.778 -0.452 . . . . 1.0 109.778 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.01 -22.67 16.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.046 0.45 . . . . 1.0 110.26 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.97 -30.93 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.187 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 121' ' ' GLY . 46.2 m80 -68.52 -32.86 73.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 92.9 t80 49.14 -87.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.035 -1.425 . . . . 1.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.96 -139.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -158.45 152.91 24.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 47.9 p -152.98 -59.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -163.82 -37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.18 59.94 0.08 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -63.31 -30.48 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.7 -36.63 79.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 68.2 mtm180 -58.19 -39.2 78.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.458 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.44 -48.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.328 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.22 -48.95 86.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.196 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.73 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.349 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.52 ' O ' ' CZ ' ' B' ' 16' ' ' TYR . . . -63.83 -41.78 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -13.88 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.479 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -92.04 31.2 6.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.52 ' CZ ' ' O ' ' B' ' 13' ' ' ALA . 64.5 m-85 -44.19 -19.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 15' ' ' GLY . 94.9 p -52.72 -26.83 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -48.64 -37.04 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.817 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' B' ' 20' ' ' GLY . 48.5 pttt -54.07 -40.35 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' B' ' 19' ' ' LYS . . . -68.84 -32.68 74.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.79 -44.53 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 1.0 110.349 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.567 ' O ' ' CD1' ' B' ' 25' ' ' TRP . 51.9 ttt85 -57.35 -31.62 65.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.84 -26.06 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 26' ' ' ILE . . . -66.65 -29.52 69.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.019 -0.537 . . . . 1.0 112.033 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -46.66 -11.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.862 0.319 . . . . 1.0 111.862 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' B' ' 24' ' ' ALA . 18.9 mt -95.93 -30.26 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-O 120.85 0.357 . . . . 1.0 110.117 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 24' ' ' ALA . 10.8 m120 -108.16 44.16 1.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -179.87 -86.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 1.0 110.652 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -70.4 4.93 1.99 Allowed 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.315 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 29' ' ' ALA . . . -36.11 -32.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.66 0.267 . . . . 1.0 111.687 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 29' ' ' ALA . 37.5 t80 -95.77 -43.17 8.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.023 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -66.84 -27.53 67.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.26 0.552 . . . . 1.0 109.63 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' B' ' 35' ' ' GLY . 53.8 tp60 -59.92 -63.54 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.185 -0.916 . . . . 1.0 109.099 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -42.06 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.598 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.59 -48.42 2.98 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -48.0 -41.37 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 121.0 -0.28 . . . . 1.0 110.289 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.94 -62.99 1.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.579 ' O ' HG23 ' B' ' 42' ' ' VAL . 2.9 t -35.33 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.52 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 37' ' ' ALA . 12.7 mt -89.85 -49.61 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' B' ' 37' ' ' ALA . 71.6 mt -65.14 -35.55 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.763 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' NH2' ' B' ' 55' ' ' ARG . . . -69.7 -25.19 63.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.7 t -78.73 -38.6 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.771 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -49.41 -48.01 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.704 -0.398 . . . . 1.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -74.23 -44.13 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.705 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.79 46.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.633 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.19 -46.36 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.296 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -60.44 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.439 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.25 101.73 4.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.319 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.71 96.79 10.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' ASP . 47.9 t -147.7 -98.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' B' ' 50' ' ' VAL . 4.6 p-10 40.15 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 179.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.749 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.692 HD13 ' N ' ' B' ' 53' ' ' ILE . 0.1 OUTLIER -49.24 -27.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.225 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.1 3.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 1.0 110.141 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' HB1' ' B' ' 41' ' ' ALA . 69.7 ttt180 -79.89 -48.06 14.07 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.385 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.83 -37.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -49.92 -46.0 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 58' ' ' LEU . 16.8 mt -51.34 -51.02 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.456 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' B' ' 63' ' ' MET . 76.3 mt -65.94 -53.59 36.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-O 121.185 0.516 . . . . 1.0 110.234 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.7 m -46.41 -50.54 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t -64.17 -63.99 1.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 1.0 111.605 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.69 -32.53 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.116 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' B' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.09 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.634 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -65.61 -50.77 63.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.052 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.424 ' O ' ' OE2' ' B' ' 69' ' ' GLU . 93.6 t -60.87 -36.56 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.874 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' GLU . 19.6 mtt -57.45 -49.89 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.769 -0.651 . . . . 1.0 109.975 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -44.44 -24.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 1.0 110.147 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' B' ' 66' ' ' MET . 11.1 t -91.73 -31.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -48.02 6.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -178.734 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 4.1 pt -69.95 -50.65 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.073 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 70' ' ' ILE . 5.9 tp -50.1 -40.64 46.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.337 -0.545 . . . . 1.0 109.769 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' GLU . 4.4 m120 -75.38 -12.48 60.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.9 t -89.99 -56.28 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.051 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.59 -51.87 65.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.438 HG22 ' O ' ' B' ' 71' ' ' LEU . 11.3 tt -51.06 -43.5 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.783 -0.644 . . . . 1.0 109.584 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 83.9 mt-10 -80.9 -23.69 38.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.616 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.99 63.19 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.457 -0.497 . . . . 1.0 110.0 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 75' ' ' ILE . 3.5 p -53.31 -31.65 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.182 -0.674 . . . . 1.0 109.182 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.29 -24.03 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.662 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 63.6 m-20 -77.27 -103.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.075 0.398 . . . . 1.0 112.075 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 82' ' ' ILE . 63.4 mtp180 -100.29 -8.85 22.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.72 0.266 . . . . 1.0 111.72 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.0 tt 34.44 99.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.981 0.419 . . . . 1.0 111.902 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -133.61 -69.24 0.08 OUTLIER Glycine 0 N--CA 1.467 0.743 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.6 m 41.93 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 1.0 111.017 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.534 ' H ' HD22 ' C' ' 72' ' ' ASN . 87.3 mt-10 -51.16 127.43 19.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.48 -16.16 46.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' B' ' 88' ' ' GLU . 3.3 m-70 -76.1 -63.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.619 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 87' ' ' HIS . 8.7 pt-20 26.54 48.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.938 -0.574 . . . . 1.0 112.28 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.872 HD23 ' H ' ' B' ' 89' ' ' LEU . 1.5 pt? -103.92 -21.93 13.56 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.693 0.283 . . . . 1.0 111.264 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 91' ' ' GLY . 39.7 t -73.31 32.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 1.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.05 168.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.518 -1.033 . . . . 1.0 110.518 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.426 ' O ' ' SD ' ' B' ' 96' ' ' MET . 22.5 ptt180 -85.83 -25.1 26.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.92 -52.12 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 97' ' ' GLY . 66.9 tttt -67.48 -29.48 68.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.59 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.3 -38.57 1.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.582 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 96' ' ' MET . 0.2 OUTLIER -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 179.192 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.53 -36.76 92.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.8 t -48.56 -33.8 10.31 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.717 -0.284 . . . . 1.0 111.371 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.05 -50.51 5.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.16 -21.41 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.191 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.1 t -69.96 -65.48 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.343 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.02 -47.58 68.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.535 0.683 . . . . 1.0 110.281 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.4 tp -68.14 -18.37 23.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.486 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -47.76 -49.66 27.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.86 0.362 . . . . 1.0 110.948 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.1 -41.39 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.212 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.75 -30.39 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.696 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.584 HG12 ' N ' ' B' ' 108' ' ' ALA . 2.7 t -80.94 -74.73 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.41 -0.219 . . . . 1.0 110.41 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.584 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -36.75 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.488 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 107' ' ' VAL . 26.1 t -92.41 -81.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.408 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -48.57 -34.68 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.43 ' O ' HD13 ' B' ' 115' ' ' LEU . 30.9 m -61.62 -54.11 47.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.386 -0.526 . . . . 1.0 110.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.78 -27.6 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.385 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 55.1 m -65.7 -57.92 6.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.035 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.416 HD13 ' N ' ' C' ' 55' ' ' ARG . 28.4 mt -65.77 -38.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.666 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.43 HD13 ' O ' ' B' ' 111' ' ' THR . 3.9 mp -53.73 -30.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.64 -36.04 73.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.13 -22.51 17.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -59.07 -30.94 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.205 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' B' ' 121' ' ' GLY . 46.4 m80 -68.49 -32.82 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.592 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 92.9 t80 49.05 -87.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.699 0 CA-C-O 117.972 -1.46 . . . . 1.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.94 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.571 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -158.49 152.88 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.567 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 47.0 p -152.98 -59.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.395 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -163.87 -37.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.596 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.3 59.93 0.08 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 1.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.68 -36.63 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 68.4 mtm180 -58.21 -39.19 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.38 -48.48 72.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.267 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 69.0 mt -62.26 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.69 -36.09 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.451 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.525 ' O ' ' CZ ' ' C' ' 16' ' ' TYR . . . -63.89 -41.85 97.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.01 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -92.08 31.23 6.09 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.525 ' CZ ' ' O ' ' C' ' 13' ' ' ALA . 64.6 m-85 -44.14 -19.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.66 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.466 ' N ' ' O ' ' C' ' 15' ' ' GLY . 96.1 p -53.45 -24.27 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.672 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.6 t90 -50.03 -37.09 31.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.709 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' C' ' 20' ' ' GLY . 48.7 pttt -54.11 -40.3 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.378 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' C' ' 19' ' ' LYS . . . -68.82 -32.8 74.3 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.77 -44.61 95.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 1.0 110.28 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CD1' ' C' ' 25' ' ' TRP . 52.0 ttt85 -57.34 -31.56 65.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.394 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.26 61.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' C' ' 26' ' ' ILE . . . -66.7 -29.39 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 1.0 112.001 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' C' ' 22' ' ' ARG . 0.2 OUTLIER -46.67 -11.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -179.321 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' C' ' 24' ' ' ALA . 19.1 mt -95.9 -30.18 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 120.897 0.38 . . . . 1.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' C' ' 24' ' ' ALA . 10.8 m120 -108.18 44.15 1.14 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.807 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -179.89 -86.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.087 0.47 . . . . 1.0 110.68 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -70.43 5.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.297 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 29' ' ' ALA . . . -36.1 -32.1 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.729 0.299 . . . . 1.0 111.707 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' C' ' 29' ' ' ALA . 37.9 t80 -95.77 -43.16 8.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.1 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.93 -27.5 67.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' C' ' 35' ' ' GLY . 54.0 tp60 -59.89 -63.63 1.23 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.32 -0.854 . . . . 1.0 109.068 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -42.13 -22.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.585 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.61 -48.36 2.99 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.97 -41.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.295 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.94 -62.89 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.573 ' O ' HG23 ' C' ' 42' ' ' VAL . 2.9 t -35.3 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.458 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' C' ' 37' ' ' ALA . 12.9 mt -89.82 -49.81 6.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' C' ' 37' ' ' ALA . 71.9 mt -64.96 -35.59 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.712 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' NH2' ' C' ' 55' ' ' ARG . . . -69.68 -25.19 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.7 t -78.68 -38.64 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.745 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -49.44 -47.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 54.8 mt -74.15 -44.24 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.697 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.76 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.681 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.43 -46.12 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 84.9 mt -139.28 101.81 4.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.63 96.7 10.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' C' ' 51' ' ' ASP . 47.8 t -147.67 -98.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 50' ' ' VAL . 4.6 p-10 40.21 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.766 0.317 . . . . 1.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 179.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.695 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.694 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -49.28 -27.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.152 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.32 -37.04 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.097 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.473 ' NH2' ' HB1' ' C' ' 41' ' ' ALA . 69.4 ttt180 -79.95 -48.17 13.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.297 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.72 -37.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.03 -45.94 52.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.42 -50.91 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.44 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.03 -53.52 36.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 1.0 110.182 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.1 m -46.44 -50.52 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.024 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 30.0 t -64.16 -63.97 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 1.0 111.678 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.62 -32.61 31.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.172 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' C' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.2 98.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.594 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.49 -50.89 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.97 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' C' ' 69' ' ' GLU . 94.1 t -60.81 -36.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.885 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.459 ' O ' ' N ' ' C' ' 69' ' ' GLU . 19.5 mtt -57.26 -50.04 74.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.029 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.32 -24.21 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-O 120.88 0.372 . . . . 1.0 110.189 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' C' ' 66' ' ' MET . 11.2 t -91.74 -31.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' C' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -47.99 6.13 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -178.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 73' ' ' SER . 4.0 pt -69.82 -50.86 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.241 -0.583 . . . . 1.0 110.093 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' C' ' 70' ' ' ILE . 5.8 tp -50.0 -40.52 44.62 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.801 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.534 HD22 ' H ' ' B' ' 85' ' ' GLU . 4.4 m120 -75.54 -12.37 60.21 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.8 t -90.02 -56.27 3.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.998 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -51.86 65.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.182 0.515 . . . . 1.0 110.031 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.434 HG22 ' O ' ' C' ' 71' ' ' LEU . 11.3 tt -51.1 -43.45 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.683 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 84.2 mt-10 -80.93 -23.65 38.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.599 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.83 -52.99 63.19 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.468 -0.493 . . . . 1.0 109.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.414 HG12 ' O ' ' C' ' 75' ' ' ILE . 3.5 p -53.35 -31.61 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -85.24 -24.04 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.73 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.3 m-20 -77.26 -103.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 82' ' ' ILE . 63.3 mtp180 -100.33 -8.85 22.92 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.708 0.262 . . . . 1.0 111.708 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.9 tt 34.4 99.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.942 0.401 . . . . 1.0 111.814 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -133.7 -69.33 0.08 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.425 ' O ' ' O ' ' C' ' 83' ' ' GLY . 24.2 m 41.99 -166.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.843 0.354 . . . . 1.0 111.022 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 85' ' ' GLU . . . . . 0.515 ' H ' HD22 ' A' ' 72' ' ' ASN . 87.3 mt-10 -51.14 127.47 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.516 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -83.5 -16.15 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.718 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' C' ' 88' ' ' GLU . 3.4 m-70 -76.12 -63.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' C' ' 87' ' ' HIS . 8.8 pt-20 26.51 48.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.659 0.599 . . . . 1.0 112.248 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.855 HD23 ' H ' ' C' ' 89' ' ' LEU . 1.5 pt? -103.78 -22.05 13.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.209 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 91' ' ' GLY . 40.1 t -73.22 32.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 1.0 110.867 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.02 168.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.582 -1.007 . . . . 1.0 110.582 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.423 ' O ' ' SD ' ' C' ' 96' ' ' MET . 22.5 ptt180 -85.9 -25.05 26.37 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.11 58.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' C' ' 97' ' ' GLY . 66.7 tttt -67.49 -29.53 68.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.62 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.27 -38.51 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' C' ' 96' ' ' MET . 0.2 OUTLIER -69.77 -43.78 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.6 -36.8 92.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -48.51 -33.86 10.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.727 -0.278 . . . . 1.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.99 -50.48 5.68 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.39 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.258 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.1 t -69.84 -65.5 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.329 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.09 -47.58 68.46 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.595 0.712 . . . . 1.0 110.307 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' C' ' 107' ' ' VAL . 1.4 tp -68.06 -18.36 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.416 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -47.9 -49.65 29.19 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.795 0.331 . . . . 1.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.1 -41.3 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.253 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.81 -30.41 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.646 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.587 HG12 ' N ' ' C' ' 108' ' ' ALA . 2.7 t -80.94 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 122.358 -0.214 . . . . 1.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.587 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -36.76 -29.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 1.0 111.442 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' C' ' 107' ' ' VAL . 26.3 t -92.43 -81.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.35 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.53 -34.84 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.425 ' O ' HD13 ' C' ' 115' ' ' LEU . 30.6 m -61.63 -53.93 49.69 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -62.93 -27.57 69.47 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.374 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 52.2 m -65.54 -58.02 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 55' ' ' ARG . 28.5 mt -65.74 -38.03 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.721 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.425 HD13 ' O ' ' C' ' 111' ' ' THR . 3.8 mp -53.63 -30.88 44.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.52 -36.16 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.04 -22.63 16.45 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.277 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.95 -30.93 68.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' C' ' 121' ' ' GLY . 46.3 m80 -68.56 -32.8 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.9 t80 49.1 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.001 -1.444 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.23 168.78 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -52.97 164.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 6' ' ' GLY . 1.3 t -162.68 140.87 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.585 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m 69.98 -39.72 0.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 4' ' ' THR . . . -77.72 15.91 7.29 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -50.82 -33.38 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 1.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 9' ' ' ARG . 9.6 t -61.73 -39.2 90.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 8' ' ' THR . 70.1 mtm180 -55.47 -37.5 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.445 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.8 mp -67.64 -45.62 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.042 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.4 -49.93 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.181 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.33 -37.61 85.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.105 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -69.24 -42.35 75.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.123 0.487 . . . . 1.0 110.569 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.69 -14.23 56.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.326 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -61.5 -69.25 1.35 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.571 -0.612 . . . . 1.0 111.571 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 13' ' ' ALA . 5.7 m-85 43.16 19.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.745 0.307 . . . . 1.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' GLY . 40.9 t -72.46 -29.46 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.641 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -50.31 -38.96 44.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.463 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -67.11 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.08 -40.62 28.64 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 21' ' ' LEU . 7.5 mp -66.44 -39.97 89.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 1.0 110.31 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -65.69 -50.33 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.442 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -29.54 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 3.6 t-105 -43.47 -36.03 1.85 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.185 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.33 -12.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 1.0 111.246 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.23 -63.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 30' ' ' ALA . 84.0 mt-10 -106.19 -46.71 4.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 25' ' ' TRP . . . -56.18 -4.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.13 -39.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.225 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ALA . 28.4 m-85 -67.32 -50.01 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.48 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' ALA . 16.8 mmm180 -63.69 -45.45 89.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.015 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.59 32.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.437 . . . . 1.0 110.542 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 38' ' ' VAL . 48.5 mm-40 -95.2 -43.85 7.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.71 -47.09 8.11 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 32' ' ' ARG . 85.5 t -49.97 -48.71 22.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -11.59 45.9 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.5 t -99.96 -30.26 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.379 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.25 -57.41 2.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.92 -0.4 . . . . 1.0 109.92 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.34 72.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.763 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.42 70.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.5 t -89.54 -43.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.648 0.261 . . . . 1.0 111.589 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.71 -44.52 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.748 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 45' ' ' ALA . 20.8 tt -60.78 -45.25 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.334 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -63.43 -30.04 71.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.24 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.34 -48.47 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.249 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -50.38 -52.17 39.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.97 -104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.282 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.8 t0 -159.82 -156.42 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 14.8 m -97.85 168.95 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' H ' HD11 ' B' ' 53' ' ' ILE . 14.0 p-10 -156.73 -148.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.769 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.18 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.111 0.481 . . . . 1.0 111.553 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 56' ' ' VAL . 30.8 pt -65.42 -26.73 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.344 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 54' ' ' THR . 23.9 p -41.9 -25.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.733 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ILE . 48.2 ttp85 -79.03 -47.81 15.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.175 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' ILE . 57.8 t -65.58 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.766 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.17 -43.19 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 1.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 62' ' ' VAL . 3.5 tt -50.58 -50.97 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.534 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 59' ' ' ILE . 11.5 pt -78.47 -40.88 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.683 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -45.98 -55.33 6.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.581 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -60.66 -51.04 71.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.297 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD12 ' C' ' 103' ' ' ILE . 89.3 t -55.06 -39.2 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.245 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.7 mtm -70.28 -49.84 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.63 -51.98 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.087 -0.245 . . . . 1.0 111.636 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.66 -30.09 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.117 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -58.37 -38.19 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.086 -0.709 . . . . 1.0 109.086 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' C' ' 66' ' ' MET . 41.9 mm -50.37 -49.09 24.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.992 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 t -84.98 -32.25 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 1.0 112.262 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -91.27 -80.96 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.507 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mm -43.91 -54.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.11 66.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.329 -0.948 . . . . 1.0 109.699 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.69 -11.85 59.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.099 0.476 . . . . 1.0 109.79 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ALA . 5.9 p -89.55 -52.81 4.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.07 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.548 ' HB1' HD11 ' B' ' 75' ' ' ILE . . . -58.83 -50.95 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.161 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 ' HB1' ' C' ' 74' ' ' ALA . 4.2 mm -52.91 -29.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.616 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' ASP . 42.9 mm-40 -92.92 -26.08 17.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.99 -52.2 66.49 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.39 -36.28 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.274 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.17 -27.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.58 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.9 m-20 -83.61 -111.15 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 112.002 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.694 ' HE ' ' NH1' ' C' ' 92' ' ' ARG . 60.3 mtm180 -106.07 -33.94 7.72 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.193 -0.458 . . . . 1.0 112.089 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.5 tt 37.0 102.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.457 0.646 . . . . 1.0 111.565 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.57 59.87 0.54 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.9 t -41.59 143.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 1.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 10.2 mp0 -63.34 165.35 7.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -83.87 -38.06 21.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -63.0 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.956 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -47.44 97.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 1.0 110.33 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLY . 5.3 tp -155.84 -21.1 0.11 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.793 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -63.04 61.42 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.882 0.373 . . . . 1.0 111.552 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 56.32 166.92 0.06 OUTLIER Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.684 ' NH1' ' HE ' ' B' ' 81' ' ' ARG . 32.3 ptt-85 -86.11 -19.36 30.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.096 0.474 . . . . 1.0 109.961 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -50.43 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.609 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.0 -34.69 78.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.164 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 32.4 m-20 -42.07 -35.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.004 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.4 mtt -74.16 -44.63 52.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.072 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.75 -38.77 96.02 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.231 -1.147 . . . . 1.0 110.231 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.6 p -48.67 -27.04 2.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 1.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -58.82 -21.3 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.388 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 40.9 t -72.66 -64.62 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.33 -46.14 69.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.398 0.618 . . . . 1.0 111.029 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.516 HD12 HG22 ' B' ' 62' ' ' VAL . 4.9 pt -71.91 -17.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . -44.8 -48.93 10.97 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.353 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 3.2 pt -65.5 -42.72 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.346 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 110' ' ' ILE . 95.2 mt -74.35 -64.12 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 120.121 -0.631 . . . . 1.0 111.108 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' VAL . 42.0 t -50.46 -77.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.87 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . -32.04 -34.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.088 0.47 . . . . 1.0 111.641 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.9 t -90.64 -76.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.5 mp -45.13 -29.58 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.521 -0.309 . . . . 1.0 110.885 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 112' ' ' TRP . 7.1 t -62.72 -45.72 91.42 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.454 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.517 ' N ' HG23 ' A' ' 111' ' ' THR . 60.4 t-105 -64.52 -27.92 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.12 -57.32 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.8 tt -55.76 -48.01 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -59.92 -45.02 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.969 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 120' ' ' PHE . 9.0 t -49.43 -37.07 24.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' A' ' 121' ' ' GLY . 89.8 t80 -44.99 162.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 1.0 110.596 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.737 0 CA-C-O 118.016 -1.436 . . . . 1.0 110.954 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.24 168.69 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -52.94 164.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.631 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.489 ' C ' ' H ' ' B' ' 6' ' ' GLY . 1.3 t -162.78 140.86 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m 70.01 -39.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' B' ' 4' ' ' THR . . . -77.6 15.83 7.16 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -50.87 -33.33 23.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 1.0 110.43 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.445 HG23 ' N ' ' B' ' 9' ' ' ARG . 9.6 t -61.73 -39.21 90.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.445 ' N ' HG23 ' B' ' 8' ' ' THR . 70.0 mtm180 -55.5 -37.39 67.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.482 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.678 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.8 mp -67.75 -45.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.976 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -49.81 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.79 -0.364 . . . . 1.0 110.193 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.35 -37.69 85.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.062 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -69.18 -42.34 75.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.059 0.457 . . . . 1.0 110.571 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 -14.17 56.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.357 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -61.52 -69.23 1.36 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.531 -0.627 . . . . 1.0 111.531 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' B' ' 13' ' ' ALA . 5.7 m-85 43.05 19.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.32 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.494 ' N ' ' O ' ' B' ' 15' ' ' GLY . 40.7 t -72.47 -29.43 63.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.638 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -50.31 -38.89 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -67.23 -37.55 83.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.19 -40.63 29.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 21' ' ' LEU . 7.5 mp -66.38 -40.0 89.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 1.0 110.313 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -65.62 -50.33 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.694 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.16 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.16 -29.61 66.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.566 ' CD1' ' CB ' ' B' ' 29' ' ' ALA . 3.6 t-105 -43.45 -35.9 1.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.195 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.46 -12.24 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 1.0 111.196 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -61.24 -63.35 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.897 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 30' ' ' ALA . 83.6 mt-10 -106.13 -46.91 3.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' B' ' 25' ' ' TRP . . . -56.05 -4.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.08 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.196 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.29 -50.01 61.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.482 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' ALA . 16.8 mmm180 -63.54 -45.54 90.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.013 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.61 32.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.001 0.429 . . . . 1.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 38' ' ' VAL . 48.5 mm-40 -95.1 -43.93 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.291 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -47.23 8.12 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 32' ' ' ARG . 85.1 t -49.94 -48.7 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.214 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.63 -11.63 46.31 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.896 -0.322 . . . . 1.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 34' ' ' GLU . 78.5 t -99.91 -30.19 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.421 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.24 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.977 -0.379 . . . . 1.0 109.977 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.35 72.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -31.41 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.441 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 38' ' ' VAL . 89.7 t -89.51 -43.84 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 120.67 0.271 . . . . 1.0 111.586 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.63 -44.49 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.75 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.55 HG23 ' N ' ' B' ' 45' ' ' ALA . 20.8 tt -60.88 -45.2 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.35 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.55 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -63.34 -30.15 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.25 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.28 -48.47 42.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.42 -52.08 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.105 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.02 -104.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.354 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.8 t0 -159.87 -156.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.547 -0.297 . . . . 1.0 110.385 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.5 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 14.6 m -97.92 168.91 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.517 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.472 ' H ' HD11 ' C' ' 53' ' ' ILE . 14.0 p-10 -156.65 -148.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.787 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.24 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 1.0 111.661 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 56' ' ' VAL . 30.9 pt -65.4 -26.79 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.291 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.5 p -41.83 -25.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.825 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 53' ' ' ILE . 48.3 ttp85 -79.01 -47.85 15.51 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.114 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 53' ' ' ILE . 57.5 t -65.55 -31.79 55.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.305 -0.861 . . . . 1.0 110.736 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tp -53.09 -43.27 66.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.018 0.437 . . . . 1.0 110.564 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.543 ' O ' HG23 ' B' ' 62' ' ' VAL . 3.5 tt -50.49 -51.0 51.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.419 ' H ' HG12 ' B' ' 59' ' ' ILE . 11.3 pt -78.57 -40.81 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -46.03 -55.28 7.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.61 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -60.61 -51.16 70.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 1.0 110.35 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 58' ' ' LEU . 89.6 t -55.01 -39.17 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.201 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.16 -49.91 45.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.64 -52.02 65.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.619 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -30.16 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.447 ' SD ' HD12 ' C' ' 67' ' ' ILE . 0.0 OUTLIER -58.21 -38.17 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 179.281 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 66' ' ' MET . 41.5 mm -50.46 -49.1 25.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.165 -0.925 . . . . 1.0 111.013 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.95 -32.21 7.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.327 0.492 . . . . 1.0 112.327 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.2 -81.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 31.1 mm -43.76 -54.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.506 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -54.67 -38.2 66.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.332 -0.947 . . . . 1.0 109.721 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.74 -11.67 59.99 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 77' ' ' ALA . 5.9 p -89.63 -52.91 4.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.733 -0.667 . . . . 1.0 109.97 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.566 ' HB1' HD11 ' C' ' 75' ' ' ILE . . . -58.79 -50.96 72.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.548 HD11 ' HB1' ' A' ' 74' ' ' ALA . 4.3 mm -52.84 -29.51 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.896 -1.047 . . . . 1.0 109.606 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 80' ' ' ASP . 43.0 mm-40 -92.82 -26.09 17.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.87 -52.23 66.32 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.39 -36.31 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.245 -0.889 . . . . 1.0 109.332 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.24 -27.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.503 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.7 m-20 -83.69 -111.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.99 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.684 ' HE ' ' NH1' ' A' ' 92' ' ' ARG . 60.3 mtm180 -106.08 -33.85 7.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.129 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.6 tt 36.94 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.441 0.638 . . . . 1.0 111.639 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.65 60.03 0.53 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.569 -1.012 . . . . 1.0 110.569 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -41.56 143.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 1.0 110.975 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' B' ' 85' ' ' GLU . 10.2 mp0 -63.26 165.31 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -83.84 -38.03 21.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -62.99 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.983 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.47 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' B' ' 91' ' ' GLY . 5.3 tp -155.9 -21.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.749 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.5 m -63.08 61.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.924 0.392 . . . . 1.0 111.603 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 56.34 166.9 0.06 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.689 ' NH1' ' HE ' ' C' ' 81' ' ' ARG . 32.3 ptt-85 -86.04 -19.44 30.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 1.0 110.002 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.43 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.66 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.08 -34.64 78.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.123 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 32.4 m-20 -42.16 -35.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.978 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 24.0 mtt -74.08 -44.68 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.116 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.455 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.71 -38.71 95.98 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.215 -1.154 . . . . 1.0 110.215 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.0 p -48.85 -26.98 2.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.791 0.329 . . . . 1.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.38 -48.25 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.101 0.477 . . . . 1.0 109.825 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -58.81 -21.23 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.32 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 97' ' ' GLY . 40.6 t -72.71 -64.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.27 -46.22 69.18 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.473 0.654 . . . . 1.0 111.054 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 62' ' ' VAL . 4.9 pt -71.84 -17.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' B' ' 108' ' ' ALA . . . -44.88 -48.84 11.19 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 3.2 pt -65.56 -42.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' B' ' 110' ' ' ILE . 95.1 mt -74.43 -63.97 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.086 -0.646 . . . . 1.0 111.138 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' B' ' 103' ' ' ILE . 41.7 t -50.61 -76.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.895 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 104' ' ' ALA . . . -32.06 -34.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.041 0.448 . . . . 1.0 111.63 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.7 t -90.59 -76.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.487 ' N ' HD12 ' B' ' 110' ' ' ILE . 1.5 mp -45.05 -29.61 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.866 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 112' ' ' TRP . 7.1 t -62.71 -45.69 91.58 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.489 -0.484 . . . . 1.0 110.466 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' TRP . . . . . 0.503 ' N ' HG23 ' B' ' 111' ' ' THR . 60.4 t-105 -64.6 -27.92 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.13 -57.38 8.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -39.63 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.591 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.565 ' O ' HD23 ' B' ' 115' ' ' LEU . 1.8 tt -55.87 -47.94 76.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.524 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -59.87 -45.02 93.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.05 179.24 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.34 -40.26 90.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.402 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.9 t -49.48 -37.09 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.443 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.56 4.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.979 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.519 ' CG ' ' N ' ' B' ' 121' ' ' GLY . 89.7 t80 -45.06 163.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.989 -1.45 . . . . 1.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.22 168.73 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -52.93 164.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.625 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.483 ' C ' ' H ' ' C' ' 6' ' ' GLY . 1.3 t -162.69 140.89 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m 69.97 -39.66 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.694 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 4' ' ' THR . . . -77.75 15.88 7.38 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -50.81 -33.4 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 1.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.456 HG23 ' N ' ' C' ' 9' ' ' ARG . 9.6 t -61.68 -39.23 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.456 ' N ' HG23 ' C' ' 8' ' ' THR . 69.9 mtm180 -55.51 -37.44 67.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.461 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.682 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.8 mp -67.69 -45.56 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.023 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.43 -49.86 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.4 -37.6 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.087 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -69.23 -42.35 75.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 1.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.82 -14.08 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -61.58 -69.15 1.38 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.552 -0.619 . . . . 1.0 111.552 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 5.7 m-85 43.07 19.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 1.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.498 ' N ' ' O ' ' C' ' 15' ' ' GLY . 40.8 t -72.52 -29.38 63.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -50.37 -38.9 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -67.11 -37.62 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.529 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.14 -40.6 29.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.58 ' N ' HD12 ' C' ' 21' ' ' LEU . 7.5 mp -66.46 -39.95 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 1.0 110.249 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -65.7 -50.26 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.708 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.19 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.459 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.57 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.564 ' CD1' ' CB ' ' C' ' 29' ' ' ALA . 3.6 t-105 -43.59 -35.9 1.9 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.207 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.409 ' H ' HG23 ' C' ' 26' ' ' ILE . 5.1 pt -57.28 -12.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 1.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -61.24 -63.28 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.909 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' C' ' 30' ' ' ALA . 83.9 mt-10 -106.2 -46.84 3.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.614 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' C' ' 25' ' ' TRP . . . -56.07 -4.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.837 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.07 -39.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.233 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' C' ' 29' ' ' ALA . 28.2 m-85 -67.32 -49.95 62.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.531 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' C' ' 29' ' ' ALA . 16.9 mmm180 -63.64 -45.54 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.988 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.93 -15.63 33.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.064 0.459 . . . . 1.0 110.595 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.503 ' O ' HG23 ' C' ' 38' ' ' VAL . 48.8 mm-40 -95.09 -43.87 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.268 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.57 -47.24 8.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 32' ' ' ARG . 85.2 t -50.04 -48.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.254 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -11.5 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.503 HG23 ' O ' ' C' ' 34' ' ' GLU . 77.5 t -99.91 -30.27 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.372 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.23 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.8 OUTLIER -56.73 -38.4 72.31 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.729 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.96 -31.34 70.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' C' ' 38' ' ' VAL . 88.4 t -89.58 -43.7 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.6 0.238 . . . . 1.0 111.578 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.76 -44.44 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 1.0 110.701 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.558 HG23 ' N ' ' C' ' 45' ' ' ALA . 20.8 tt -60.93 -45.2 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.347 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.558 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -63.35 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.3 -48.61 40.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.31 -52.08 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 mt -79.97 -104.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.321 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.8 t0 -159.89 -156.4 0.5 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.341 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' VAL . . . . . 0.493 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 14.8 m -97.93 168.84 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.51 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.475 ' H ' HD11 ' A' ' 53' ' ' ILE . 13.9 p-10 -156.64 -148.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.783 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -174.05 5.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.074 0.464 . . . . 1.0 111.641 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 56' ' ' VAL . 30.4 pt -65.51 -26.69 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.312 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' THR . . . . . 0.415 HG23 ' H ' ' C' ' 54' ' ' THR . 23.8 p -41.91 -25.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.718 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 53' ' ' ILE . 48.3 ttp85 -79.04 -47.74 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.201 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' C' ' 53' ' ' ILE . 57.9 t -65.63 -31.73 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.73 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.1 -43.29 66.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.011 0.434 . . . . 1.0 110.467 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.549 ' O ' HG23 ' C' ' 62' ' ' VAL . 3.5 tt -50.5 -50.99 51.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.635 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.433 HG12 ' H ' ' C' ' 59' ' ' ILE . 11.4 pt -78.51 -40.86 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.69 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' B' ' 59' ' ' ILE . 5.5 t -45.97 -55.37 6.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.54 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 9.1 t -60.72 -51.03 71.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.214 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 58' ' ' LEU . 89.3 t -55.13 -39.08 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.225 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.26 -49.95 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.55 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.632 0.234 . . . . 1.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.52 -30.25 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.077 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.45 ' SD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -58.23 -38.21 76.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 67' ' ' ILE . . . . . 0.447 HD12 ' SD ' ' B' ' 66' ' ' MET . 41.4 mm -50.33 -49.12 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.035 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.93 -32.24 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -91.19 -80.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.984 0.421 . . . . 1.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.9 -54.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.586 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' C' ' 71' ' ' LEU . 0.1 OUTLIER -54.73 -38.13 66.75 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 119.393 -0.923 . . . . 1.0 109.677 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.73 -11.83 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 1.0 109.792 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.475 ' O ' ' N ' ' C' ' 77' ' ' ALA . 5.8 p -89.48 -52.91 4.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.079 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 75' ' ' ILE . . . -58.85 -50.89 72.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.621 -0.718 . . . . 1.0 109.191 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.566 HD11 ' HB1' ' B' ' 74' ' ' ALA . 4.3 mm -52.87 -29.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.583 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 80' ' ' ASP . 43.0 mm-40 -92.91 -25.97 17.82 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.97 -52.23 66.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.34 -36.28 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.278 -0.874 . . . . 1.0 109.325 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.35 -27.83 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.524 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' C' ' 76' ' ' GLU . 62.0 m-20 -83.71 -111.2 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.938 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.689 ' HE ' ' NH1' ' B' ' 92' ' ' ARG . 60.1 mtm180 -105.98 -33.92 7.76 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.182 0.438 . . . . 1.0 112.182 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.5 tt 36.96 102.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 1.0 111.583 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.62 60.03 0.53 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.526 -1.03 . . . . 1.0 110.526 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -41.65 143.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.793 0.33 . . . . 1.0 111.012 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 10.1 mp0 -63.34 165.3 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -83.82 -38.08 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -62.98 -62.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.932 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.54 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' C' ' 91' ' ' GLY . 5.9 tp -155.8 -21.03 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.727 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -63.14 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.983 0.42 . . . . 1.0 111.621 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 56.26 166.96 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.694 ' NH1' ' HE ' ' A' ' 81' ' ' ARG . 32.3 ptt-85 -86.14 -19.4 30.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 1.0 109.91 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.47 66.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.622 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -67.06 -34.56 77.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.812 0.339 . . . . 1.0 111.236 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 32.4 m-20 -42.02 -35.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.017 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 24.2 mtt -74.25 -44.6 52.36 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.087 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.46 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.6 -38.85 96.23 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.255 -1.138 . . . . 1.0 110.255 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 69.5 p -48.73 -26.99 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.745 0.307 . . . . 1.0 110.56 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -58.89 -21.22 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.679 . . . . 1.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.46 HG23 ' O ' ' C' ' 97' ' ' GLY . 40.5 t -72.84 -64.48 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 112.306 0.484 . . . . 1.0 112.306 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 mt -53.34 -46.22 69.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.403 0.62 . . . . 1.0 110.988 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 62' ' ' VAL . 4.9 pt -71.86 -17.76 19.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' C' ' 108' ' ' ALA . . . -44.79 -48.96 10.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.941 0.4 . . . . 1.0 110.381 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 3.2 pt -65.5 -42.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' C' ' 110' ' ' ILE . 95.2 mt -74.48 -63.96 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.077 -0.649 . . . . 1.0 111.097 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' C' ' 109' ' ' VAL . 41.9 t -50.63 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.885 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' C' ' 104' ' ' ALA . . . -31.96 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.096 0.474 . . . . 1.0 111.649 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.9 t -90.66 -75.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 110' ' ' ILE . . . . . 0.486 ' N ' HD12 ' C' ' 110' ' ' ILE . 1.5 mp -45.15 -29.65 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.857 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 112' ' ' TRP . 7.1 t -62.55 -45.84 91.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' TRP . . . . . 0.512 ' N ' HG23 ' C' ' 111' ' ' THR . 60.5 t-105 -64.56 -27.95 69.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.15 -57.35 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.619 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.569 ' O ' HD23 ' C' ' 115' ' ' LEU . 1.9 tt -55.89 -47.88 76.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.528 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -59.82 -45.17 93.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.913 179.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.35 -40.27 90.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.313 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.497 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.9 t -49.48 -37.02 24.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' C' ' 121' ' ' GLY . 89.6 t80 -44.91 163.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 1.0 110.553 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.682 0 CA-C-O 117.974 -1.459 . . . . 1.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -168.35 94.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.16 163.56 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -163.75 141.61 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -153.06 -37.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.39 42.57 0.02 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -51.25 -29.77 15.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.25 -36.64 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 72.5 ttt180 -57.44 -37.76 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.4 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.69 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.9 mp -66.99 -46.83 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.9 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.0 -49.29 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.112 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.422 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -63.93 -39.63 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -14.4 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.637 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -92.09 -15.92 52.4 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 13' ' ' ALA . 48.6 m-85 40.26 22.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 1.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' GLY . 35.9 p -77.32 -39.68 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -58.2 -42.48 86.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.28 -42.47 99.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.67 -22.4 78.01 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.35 -25.4 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 1.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.44 -50.37 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.46 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -64.06 -44.84 91.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.357 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 26' ' ' ILE . . . -51.69 -29.06 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.542 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.4 ' C ' ' H ' ' A' ' 27' ' ' ASN . 5.5 t-105 -71.08 35.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.476 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 24' ' ' ALA . 14.2 pt -55.25 -11.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.203 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 16.2 p-10 -60.25 -60.97 2.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.435 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 30' ' ' ALA . 66.4 mt-10 -107.19 -44.84 4.26 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.752 0.311 . . . . 1.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -58.03 -3.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' O ' ' SD ' ' C' ' 96' ' ' MET . . . -32.93 -39.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.662 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -96.63 -35.62 10.99 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.253 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.24 -41.61 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 1.0 110.095 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.01 -63.31 1.34 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.571 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.6 tt0 -44.43 -36.41 2.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.941 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.79 -58.67 7.99 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.82 -34.27 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -6.5 9.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.34 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 34' ' ' GLU . 23.6 t -103.36 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.323 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.3 mp -91.93 -48.67 6.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.162 0.506 . . . . 1.0 110.648 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.66 -42.16 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.109 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.47 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 43' ' ' VAL . 10.6 m -96.5 -37.65 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 39' ' ' LEU . 25.6 t -57.92 -48.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.569 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 45' ' ' ALA . 4.4 pt -72.82 -46.98 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.253 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 44' ' ' ILE . . . -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 1.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -71.63 -46.54 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.331 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -52.67 -44.92 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.32 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.434 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 45.6 p-10 -84.42 -160.12 0.45 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.656 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.42 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.36 152.91 51.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.002 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.57 -59.84 2.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.407 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.837 HD11 HG21 ' C' ' 56' ' ' VAL . 9.6 tp -173.44 -31.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.579 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -50.0 -35.12 23.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.749 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -78.87 -48.06 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 HD11 ' B' ' 53' ' ' ILE . 94.3 t -63.25 -45.23 98.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.619 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.1 tt -48.47 -50.56 31.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 1.0 109.914 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 62' ' ' VAL . 79.6 mt -46.72 -41.99 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.691 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.21 -49.99 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.907 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.14 -55.79 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.716 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 t -63.98 -63.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.116 0.484 . . . . 1.0 110.531 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 58' ' ' LEU . 45.1 t -51.33 -32.08 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.867 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.6 ttm -58.84 -30.94 68.05 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.429 -0.508 . . . . 1.0 109.929 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' C' ' 38' ' ' VAL . 37.1 mt -64.0 -44.99 90.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.3 -33.65 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.935 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 31.1 mtt -62.55 -49.85 73.66 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.287 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -44.31 -30.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.684 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.39 -28.7 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 1.0 111.63 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.23 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.778 0.323 . . . . 1.0 111.053 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 66' ' ' MET . 44.5 mm -62.34 -60.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.35 -36.72 44.3 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.946 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -71.47 -11.05 60.68 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.43 0.634 . . . . 1.0 109.395 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.2 p -89.73 -54.25 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.91 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.44 -52.09 67.07 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.546 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 76' ' ' GLU . 10.7 tp -50.45 -46.08 26.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.155 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 75' ' ' ILE . 15.0 tt0 -79.73 -23.7 42.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.06 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.08 -54.78 43.07 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.531 -0.467 . . . . 1.0 110.759 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.94 -31.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.59 -33.67 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.237 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' GLU . 84.3 m-20 -83.01 -108.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 83' ' ' GLY . 73.6 mtp180 -104.53 6.02 34.39 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.321 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt 67.2 -28.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 81' ' ' ARG . . . 105.78 1.78 39.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 4.4 t 65.45 59.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 1.0 110.964 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.12 88.26 7.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.339 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.443 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 56.9 m-85 -79.01 -31.44 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.975 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 2.2 m-70 -58.79 -63.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.895 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' C ' ' H ' ' A' ' 90' ' ' SER . 5.8 tt0 32.73 -146.31 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.331 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 tp 62.72 -27.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.278 0.473 . . . . 1.0 112.278 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.582 ' H ' ' C ' ' A' ' 88' ' ' GLU . 11.7 m -52.9 -1.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.882 0.326 . . . . 1.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.21 172.29 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.554 -1.019 . . . . 1.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.06 -24.55 21.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.68 -52.61 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.791 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -69.08 -28.3 66.39 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.947 0.403 . . . . 1.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 80.4 m-20 -44.31 -41.43 5.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.466 -0.494 . . . . 1.0 110.805 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' B' ' 30' ' ' ALA . 6.1 mtp -82.23 -50.3 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.886 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -61.26 -46.54 94.24 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.371 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -49.36 -31.0 8.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.764 0.316 . . . . 1.0 111.092 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.83 -53.12 4.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.52 -21.83 62.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.799 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.1 p -72.17 -62.18 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.591 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.4 tp -52.93 -44.79 67.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.895 0.855 . . . . 1.0 109.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 107' ' ' VAL . 28.5 mm -75.05 -22.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.3 -0.863 . . . . 1.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -38.16 -49.01 1.31 Allowed 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.092 0.473 . . . . 1.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.7 pt -69.56 -40.72 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.299 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 89.7 mt -70.73 -34.72 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.272 -0.571 . . . . 1.0 112.291 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.892 HG13 ' H ' ' A' ' 108' ' ' ALA . 9.4 p -82.86 -71.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.892 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -38.96 -28.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.627 0.251 . . . . 1.0 111.455 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 105' ' ' ILE . 87.0 t -86.05 -80.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.338 . . . . 1.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.54 -24.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.132 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 49.8 m -59.37 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 1.0 110.566 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.2 -22.47 11.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.42 -57.56 9.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.366 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 114' ' ' ILE . 1.8 mp -65.17 -46.46 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.327 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.11 -33.79 65.44 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.53 -45.96 60.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.457 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.12 -20.97 1.67 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.29 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -60.02 -26.44 66.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -63.53 -5.84 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.544 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.517 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 71.0 t80 -78.99 -98.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.517 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.7 0 CA-C-O 117.994 -1.448 . . . . 1.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -168.28 94.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.06 163.58 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 13.9 m -163.77 141.57 7.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 46.4 p -152.97 -37.83 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.47 42.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -51.2 -29.91 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 1.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -66.07 -36.73 84.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 72.5 ttt180 -57.35 -37.86 73.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.684 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.9 mp -66.87 -46.94 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.838 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.93 -49.32 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.373 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -63.88 -39.56 94.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.51 -14.28 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.706 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -92.19 -15.99 51.9 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' B' ' 13' ' ' ALA . 48.7 m-85 40.51 21.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.772 0.32 . . . . 1.0 111.037 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 15' ' ' GLY . 36.5 p -76.68 -40.1 50.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -57.86 -42.52 84.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.26 -42.5 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -22.58 77.85 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.01 -25.85 63.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 1.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -63.21 -50.34 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.475 ' O ' HG23 ' B' ' 26' ' ' ILE . . . -64.09 -44.79 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.385 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' B' ' 26' ' ' ILE . . . -51.74 -29.05 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.482 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -71.11 35.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.505 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' B' ' 24' ' ' ALA . 14.2 pt -55.33 -11.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 28' ' ' GLU . 16.2 p-10 -60.23 -61.0 2.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.48 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 66.3 mt-10 -107.1 -44.85 4.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 1.0 110.721 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -58.11 -3.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.756 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.503 ' O ' ' SD ' ' A' ' 96' ' ' MET . . . -32.82 -39.37 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.652 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -96.62 -35.7 10.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.251 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.15 -41.67 99.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.071 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.633 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 38' ' ' VAL . 30.5 tt0 -44.6 -36.26 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.93 -58.61 7.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 109.386 -1.486 . . . . 1.0 109.386 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.83 -34.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.4 -6.43 10.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.284 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' C' ' 64' ' ' LEU . 24.0 t -103.4 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.302 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.3 mp -91.98 -48.55 6.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.136 0.493 . . . . 1.0 110.703 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.66 -42.07 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.51 69.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.304 0.483 . . . . 1.0 112.304 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -96.48 -37.54 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 39' ' ' LEU . 25.6 t -58.02 -48.68 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.466 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.473 ' CG1' ' N ' ' B' ' 45' ' ' ALA . 4.4 pt -72.8 -47.02 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 44' ' ' ILE . . . -59.03 -34.62 72.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.55 -46.57 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -52.75 -44.85 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 mt -95.37 -144.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ALA . 45.7 p-10 -84.49 -160.08 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.564 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.34 152.93 51.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.358 -0.383 . . . . 1.0 109.987 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.67 -59.78 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.331 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 56' ' ' VAL . 9.6 tp -173.53 -31.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.61 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.748 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -78.88 -48.05 15.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 1.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.825 HG21 HD11 ' C' ' 53' ' ' ILE . 94.2 t -63.36 -45.09 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.661 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.1 tt -48.57 -50.51 32.03 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.891 -0.411 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.503 ' O ' HG23 ' B' ' 62' ' ' VAL . 79.7 mt -46.75 -41.92 16.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.685 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 80.3 mt -78.27 -49.95 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.892 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.25 -55.78 16.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.709 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.1 t -63.95 -63.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.002 0.43 . . . . 1.0 110.489 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 58' ' ' LEU . 45.3 t -51.37 -32.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 63' ' ' MET . 30.6 ttm -58.8 -31.01 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.859 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.453 ' HB3' HG22 ' A' ' 38' ' ' VAL . 36.7 mt -63.94 -45.05 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.24 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.934 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' B' ' 70' ' ' ILE . 31.0 mtt -62.68 -49.71 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.273 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.39 -30.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.624 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -91.5 -28.61 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.671 0.272 . . . . 1.0 111.56 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.22 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.856 0.36 . . . . 1.0 111.105 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.6 mm -62.51 -60.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.167 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.38 -36.64 44.27 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.962 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -71.5 -11.0 60.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.368 0.604 . . . . 1.0 109.374 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.2 p -89.78 -54.27 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.882 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.442 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.622 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.459 HG23 ' N ' ' B' ' 76' ' ' GLU . 10.7 tp -50.39 -46.1 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.428 -0.806 . . . . 1.0 110.2 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.459 ' N ' HG23 ' B' ' 75' ' ' ILE . 15.0 tt0 -79.76 -23.67 42.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.805 -0.358 . . . . 1.0 111.07 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.06 -54.71 43.89 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.77 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -54.09 -31.16 21.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -82.62 -33.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.165 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' GLU . 84.3 m-20 -82.95 -108.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.51 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' B' ' 83' ' ' GLY . 73.5 mtp180 -104.53 6.0 34.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.356 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' B' ' 77' ' ' ALA . 5.7 mt 67.3 -28.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.429 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 81' ' ' ARG . . . 105.94 1.66 39.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' B' ' 86' ' ' TYR . 4.3 t 65.43 59.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.755 0.312 . . . . 1.0 110.942 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.16 88.23 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.28 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' OG ' ' B' ' 84' ' ' SER . 56.9 m-85 -78.92 -31.56 45.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.062 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 2.2 m-70 -58.73 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.919 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' B' ' 90' ' ' SER . 5.8 tt0 32.82 -146.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.226 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 tp 62.6 -27.31 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.355 0.502 . . . . 1.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.574 ' H ' ' C ' ' B' ' 88' ' ' GLU . 11.7 m -52.98 -1.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.24 172.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.02 -24.61 21.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.47 44.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.86 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -69.18 -28.35 66.33 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.89 0.376 . . . . 1.0 111.122 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 80.4 m-20 -44.22 -41.5 5.87 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.401 -0.52 . . . . 1.0 110.846 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' C' ' 30' ' ' ALA . 6.2 mtp -82.16 -50.29 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.844 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.459 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -61.31 -46.47 94.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 120.768 -0.73 . . . . 1.0 111.392 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -49.45 -30.94 8.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.805 0.336 . . . . 1.0 111.146 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.79 -53.18 4.12 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.38 -21.92 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.828 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.697 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.3 p -72.08 -62.36 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 120.827 -0.349 . . . . 1.0 111.565 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.697 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.6 tp -53.09 -44.5 67.63 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.874 0.845 . . . . 1.0 109.539 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 107' ' ' VAL . 28.2 mm -75.08 -22.46 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.421 -0.808 . . . . 1.0 111.178 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -38.16 -48.96 1.31 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.117 0.484 . . . . 1.0 110.733 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 2.7 pt -69.54 -40.75 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.427 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' B' ' 103' ' ' ILE . 89.8 mt -70.69 -34.79 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 120.239 -0.584 . . . . 1.0 112.285 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.917 HG13 ' H ' ' B' ' 108' ' ' ALA . 9.3 p -82.86 -71.17 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.242 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.917 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -38.74 -28.73 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.586 0.231 . . . . 1.0 111.461 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' B' ' 105' ' ' ILE . 86.5 t -85.96 -80.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 1.0 110.605 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.72 -24.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.142 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 48.9 m -59.4 -53.71 55.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 1.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -54.26 -22.41 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.367 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.38 -57.62 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.395 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.652 HD12 ' H ' ' B' ' 114' ' ' ILE . 1.8 mp -64.99 -46.66 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.37 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 45.2 mt -56.0 -33.84 65.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.138 -0.689 . . . . 1.0 109.138 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 62.6 tp -71.44 -45.98 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.602 -0.726 . . . . 1.0 109.465 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 53.3 t-105 -51.19 -21.06 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.17 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.97 -26.38 65.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.336 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.55 -5.75 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.514 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 70.9 t80 -79.03 -98.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.514 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 117.973 -1.46 . . . . 1.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -168.29 94.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.11 163.59 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -163.77 141.64 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.627 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.4 p -153.03 -37.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.45 42.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -51.14 -29.89 14.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.398 . . . . 1.0 110.61 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -66.13 -36.66 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.559 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 72.5 ttt180 -57.46 -37.87 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.351 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.69 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.9 mp -66.78 -46.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.853 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.06 -49.23 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.128 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -66.02 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.398 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.531 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.707 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -14.32 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -92.16 -15.88 52.34 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 48.7 m-85 40.31 22.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.804 0.335 . . . . 1.0 110.97 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 15' ' ' GLY . 35.8 p -77.39 -39.76 46.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -58.11 -42.42 85.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.569 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.3 -42.55 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.62 -22.4 77.95 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.12 -25.79 63.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 1.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -63.15 -50.4 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.476 ' O ' HG23 ' C' ' 26' ' ' ILE . . . -64.08 -44.8 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.34 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' C' ' 26' ' ' ILE . . . -51.78 -29.12 17.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.477 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' C' ' 27' ' ' ASN . 5.5 t-105 -71.03 35.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.533 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' C' ' 24' ' ' ALA . 14.5 pt -55.31 -11.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.1 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' C' ' 28' ' ' GLU . 16.2 p-10 -60.21 -61.04 2.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.442 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' C' ' 30' ' ' ALA . 66.4 mt-10 -107.08 -44.9 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.744 0.307 . . . . 1.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' C' ' 30' ' ' ALA . . . -57.99 -3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.769 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' B' ' 96' ' ' MET . . . -32.91 -39.31 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.611 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.61 -35.61 11.0 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.266 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -63.22 -41.64 99.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.044 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -60.04 -63.27 1.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.575 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.465 ' O ' HG23 ' C' ' 38' ' ' VAL . 30.5 tt0 -44.49 -36.26 2.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.991 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.72 7.9 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 109.381 -1.488 . . . . 1.0 109.381 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.73 -34.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -6.38 9.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.283 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 64' ' ' LEU . 23.5 t -103.37 -24.7 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.365 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.572 HD12 ' N ' ' C' ' 39' ' ' LEU . 9.3 mp -92.04 -48.54 6.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.087 0.47 . . . . 1.0 110.613 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -41.92 77.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.067 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.46 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' C' ' 43' ' ' VAL . 10.6 m -96.56 -37.65 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 39' ' ' LEU . 25.6 t -57.9 -48.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.575 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.474 ' CG1' ' N ' ' C' ' 45' ' ' ALA . 4.4 pt -72.84 -47.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.255 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' C' ' 44' ' ' ILE . . . -58.92 -34.73 72.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.53 -46.57 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -52.68 -44.95 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.367 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.28 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ALA . 45.7 p-10 -84.46 -160.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -98.85 -151.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.591 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.33 152.92 51.95 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.62 -59.87 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.825 HD11 HG21 ' B' ' 56' ' ' VAL . 9.6 tp -173.48 -31.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.743 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -78.86 -48.05 15.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 1.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 53' ' ' ILE . 94.9 t -63.29 -45.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.606 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.513 HD23 ' O ' ' C' ' 57' ' ' LEU . 1.1 tt -48.57 -50.49 32.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.998 0.428 . . . . 1.0 109.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 79.5 mt -46.8 -41.85 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.693 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.29 -50.0 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -51.23 -55.77 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.707 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -63.96 -63.01 1.27 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.043 0.449 . . . . 1.0 110.494 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 45.0 t -51.44 -31.97 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.877 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttm -58.88 -30.95 68.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.372 -0.531 . . . . 1.0 109.951 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 38' ' ' VAL . 37.3 mt -63.95 -45.04 90.93 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.19 -33.76 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.938 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' C' ' 70' ' ' ILE . 31.0 mtt -62.47 -49.82 73.87 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.325 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.41 -30.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.643 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.42 -28.64 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.761 0.315 . . . . 1.0 111.601 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -95.35 -57.22 2.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.751 0.31 . . . . 1.0 111.031 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 66' ' ' MET . 44.7 mm -62.41 -60.29 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.22 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.43 -36.6 44.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.242 -0.583 . . . . 1.0 109.982 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -71.49 -11.11 60.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.2 p -89.72 -54.24 4.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.931 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.47 -52.06 67.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.575 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.48 HG23 ' N ' ' C' ' 76' ' ' GLU . 10.7 tp -50.42 -46.1 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.48 ' N ' HG23 ' C' ' 75' ' ' ILE . 15.1 tt0 -79.82 -23.61 41.94 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.888 -0.325 . . . . 1.0 111.043 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.11 -54.79 42.93 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.733 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.99 -31.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.52 -33.72 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.202 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 76' ' ' GLU . 84.4 m-20 -83.0 -108.18 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.444 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' C' ' 83' ' ' GLY . 73.7 mtp180 -104.6 6.14 34.28 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.359 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 77' ' ' ALA . 5.7 mt 67.13 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' C' ' 81' ' ' ARG . . . 105.87 1.72 39.51 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' C' ' 86' ' ' TYR . 4.3 t 65.44 59.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.08 88.25 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' TYR . . . . . 0.419 ' CE2' ' OG ' ' C' ' 84' ' ' SER . 56.9 m-85 -78.94 -31.59 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 2.2 m-70 -58.69 -63.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.584 ' C ' ' H ' ' C' ' 90' ' ' SER . 5.8 tt0 32.82 -146.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.231 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 tp 62.63 -27.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.584 ' H ' ' C ' ' C' ' 88' ' ' GLU . 12.4 m -52.88 -1.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.849 0.314 . . . . 1.0 111.849 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.26 172.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.535 -1.026 . . . . 1.0 110.535 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -89.97 -24.49 21.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.3 0.571 . . . . 1.0 109.465 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.69 -52.55 43.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.812 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' C' ' 98' ' ' SER . 31.8 mttt -69.16 -28.39 66.38 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.847 0.356 . . . . 1.0 111.029 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 80.6 m-20 -44.17 -41.54 5.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.848 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 30' ' ' ALA . 6.1 mtp -82.09 -50.39 9.11 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.895 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.462 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -61.18 -46.63 94.1 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 98' ' ' SER . . . . . 0.402 ' N ' ' O ' ' C' ' 94' ' ' LYS . 66.4 m -49.32 -31.11 8.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.813 0.339 . . . . 1.0 111.041 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.77 -53.14 4.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.4 -21.94 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.851 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.2 p -72.15 -62.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 120.761 -0.376 . . . . 1.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 9.4 tp -52.94 -44.75 67.29 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.857 0.836 . . . . 1.0 109.457 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.463 ' O ' HG12 ' C' ' 107' ' ' VAL . 28.2 mm -75.11 -22.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -38.19 -48.95 1.32 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.123 0.487 . . . . 1.0 110.721 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.7 pt -69.64 -40.73 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.31 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' C' ' 103' ' ' ILE . 89.5 mt -70.68 -34.75 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.318 -0.553 . . . . 1.0 112.296 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.889 HG13 ' H ' ' C' ' 108' ' ' ALA . 9.3 p -82.86 -71.18 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.889 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -38.82 -28.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 1.0 111.516 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' C' ' 105' ' ' ILE . 86.5 t -86.05 -80.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.626 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 47.0 mt -48.72 -24.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.118 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 49.4 m -59.46 -53.68 55.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 1.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.24 -22.44 11.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.338 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.5 -57.44 10.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.6 . . . . 1.0 111.393 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.675 HD12 ' H ' ' C' ' 114' ' ' ILE . 1.8 mp -65.23 -46.55 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.29 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.97 -33.82 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 62.5 tp -71.46 -46.0 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.528 -0.76 . . . . 1.0 109.488 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.1 -21.08 1.7 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.281 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 -26.42 66.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.285 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -63.47 -5.88 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 70.8 t80 -78.98 -98.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.509 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.004 -1.442 . . . . 1.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -62.69 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 1' ' ' ALA . 54.2 t-20 -75.75 -52.5 10.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -66.63 -129.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -159.58 -37.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.71 56.46 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' N ' ' A' ' 8' ' ' THR . 54.1 p90 -75.07 -44.27 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 1.0 110.481 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.535 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 13.9 m -53.12 -36.6 60.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.453 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 91.8 mtt-85 -59.06 -38.47 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.322 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.91 -48.1 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.0 mm -64.6 -48.02 86.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.076 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.74 -36.47 83.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.29 -40.48 94.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.01 68.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.521 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 17' ' ' SER . . . 83.43 68.63 1.41 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.94 13.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.882 -0.414 . . . . 1.0 109.882 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 15' ' ' GLY . 34.9 t -56.47 -43.12 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.633 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -63.84 -46.05 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.01 -41.4 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.24 -17.27 65.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.88 -48.01 60.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.721 0.296 . . . . 1.0 110.428 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.6 -35.6 81.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.15 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.61 -46.3 86.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.615 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 m0 -44.24 -41.24 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.675 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -80.1 -29.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.151 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 49.6 t-20 -108.3 41.66 1.52 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.211 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -176.68 -90.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.099 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -68.87 4.44 1.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.382 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TRP . . . -36.36 -34.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.567 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 52.1 p90 -94.32 -41.35 9.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.028 0.442 . . . . 1.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 57.8 ttt-85 -64.81 -26.49 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.02 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.0 -61.27 2.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.745 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.26 -30.3 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.471 -0.786 . . . . 1.0 111.463 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' VAL . . . -89.57 -59.18 1.55 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.002 -0.618 . . . . 1.0 112.118 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 32' ' ' ARG . 5.4 p -47.09 -33.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.171 -0.606 . . . . 1.0 110.541 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.57 -58.84 6.32 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.06 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 35' ' ' GLY . 1.4 m -39.02 -20.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.944 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.56 -54.36 4.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' ALA . 20.1 mt -58.02 -34.78 70.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.027 -0.988 . . . . 1.0 110.062 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.56 61.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.799 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' VAL . 32.8 t -85.89 -44.14 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.6 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 44' ' ' ILE . 15.6 m -57.76 -46.44 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.596 -0.441 . . . . 1.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.587 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.1 tp -73.82 -48.1 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.621 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -52.31 -34.31 46.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 1.0 110.344 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.18 -44.86 95.66 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.766 -0.457 . . . . 1.0 109.766 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 6.4 m0 -73.54 -42.89 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -84.74 171.43 12.32 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.129 -0.323 . . . . 1.0 110.129 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 -150.28 0.3 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.59 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 51' ' ' ASP . 9.3 t -146.93 159.96 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.188 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 30.5 t0 -153.34 -139.29 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.517 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -60.1 -176.91 0.05 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -155.35 19.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.114 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.57 0.3 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.013 0.435 . . . . 1.0 110.186 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 5.1 mmp_? -60.01 -40.5 89.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.542 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 53' ' ' ILE . 54.8 t -45.92 -31.99 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.213 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.64 -51.06 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.609 -0.437 . . . . 1.0 109.882 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -55.28 -49.08 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.989 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' MET . 85.5 mt -66.86 -55.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 1.0 109.92 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.23 -36.41 3.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.05 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -62.58 -59.85 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.43 -27.43 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.098 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ILE . 27.4 ttp -58.79 -40.32 83.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.94 -34.75 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG22 HG21 ' C' ' 38' ' ' VAL . 12.2 t -61.61 -32.05 52.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.966 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.9 mmm -54.43 -48.73 71.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -50.29 -27.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.814 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.63 -27.25 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.755 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.21 -52.84 3.54 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.775 0.321 . . . . 1.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' MET . 35.8 mm -63.81 -58.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' C' ' 74' ' ' ALA . 2.6 tp -52.54 -35.74 54.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.74 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.39 -9.8 59.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.118 0.485 . . . . 1.0 109.964 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.4 p -88.04 -49.71 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.474 -0.785 . . . . 1.0 110.161 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' B' ' 71' ' ' LEU . . . -58.33 -49.27 77.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.806 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.499 ' CG2' ' HB1' ' C' ' 74' ' ' ALA . 10.4 pt -66.64 -14.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.123 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -93.98 -34.68 12.95 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.86 -42.93 65.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.902 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 79' ' ' VAL . 20.0 m -83.28 -27.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.678 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.85 -106.9 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.012 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.45 -54.76 2.47 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.795 0.294 . . . . 1.0 111.795 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' H ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER 64.84 138.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.846 0.355 . . . . 1.0 110.049 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -96.44 -37.04 4.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 60.2 p 53.86 84.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 1.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -52.89 164.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -83.54 -14.99 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.729 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.29 -10.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.911 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.76 102.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.1 tp -174.81 -49.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.693 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.62 30.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.183 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.63 170.09 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' SD ' ' A' ' 96' ' ' MET . 35.3 ptt85 -86.46 -23.28 26.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.984 0.421 . . . . 1.0 110.179 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.5 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.29 -28.18 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.921 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.87 -40.56 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 1.0 110.649 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' A' ' 96' ' ' MET . 1.1 mpt? -70.21 -44.33 68.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -64.61 -34.33 89.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.2 p -49.86 -32.3 14.07 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.933 0.397 . . . . 1.0 111.208 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' CB ' ' SD ' ' B' ' 66' ' ' MET . . . -95.03 -52.39 4.24 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -58.14 -24.17 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.328 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.8 p -68.44 -60.21 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.555 -0.458 . . . . 1.0 110.138 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' A' ' 101' ' ' VAL . 12.7 mt -52.21 -44.75 64.93 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.704 -0.798 . . . . 1.0 109.516 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 106' ' ' ILE . 31.5 mt -74.45 -24.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -41.82 -49.86 4.4 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.847 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.9 pt -62.64 -38.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 103' ' ' ILE . 22.4 mm -72.51 -30.59 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 120.589 -0.444 . . . . 1.0 110.913 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 109' ' ' VAL . 92.7 t -65.36 -77.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.067 0.461 . . . . 1.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.41 -24.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.468 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' VAL . 91.2 t -87.28 -84.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 1.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.43 ' H ' HG23 ' A' ' 110' ' ' ILE . 1.7 pp -47.46 -25.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.099 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.6 m -59.31 -52.81 64.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.888 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.89 -30.97 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.106 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.75 -59.07 5.72 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.258 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 115' ' ' LEU . 14.7 tt -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.952 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.453 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.7 tp -57.15 -49.99 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.488 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 -47.16 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.196 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.66 -20.53 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.75 -24.69 66.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.735 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 121' ' ' GLY . 0.1 OUTLIER -62.65 -15.5 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.984 -179.324 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 92.5 t80 43.65 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.012 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.751 0 CA-C-O 117.996 -1.447 . . . . 1.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -62.68 77.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.566 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 1' ' ' ALA . 54.0 t-20 -75.62 -52.63 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.572 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 60.0 p -66.54 -129.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.6 m -159.56 -37.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.76 56.47 0.02 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' B' ' 8' ' ' THR . 54.0 p90 -75.03 -44.3 48.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.831 0.348 . . . . 1.0 110.529 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.538 ' N ' ' CD2' ' B' ' 7' ' ' PHE . 13.3 m -52.96 -36.76 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.502 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 91.7 mtt-85 -59.04 -38.44 79.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.347 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.85 -48.14 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.0 mm -64.57 -48.04 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.138 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.77 -36.36 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.493 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.3 -40.49 94.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.496 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -35.84 68.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.466 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' B' ' 17' ' ' SER . . . 83.34 68.73 1.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.02 13.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 15' ' ' GLY . 35.2 t -56.51 -42.87 79.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -64.05 -46.01 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.05 -41.5 86.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -17.19 65.68 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.95 -47.87 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.737 0.303 . . . . 1.0 110.448 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -64.8 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.467 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.23 63.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.57 -46.43 85.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' B' ' 30' ' ' ALA . 38.6 m0 -44.11 -41.2 5.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.696 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.718 ' N ' HD12 ' B' ' 26' ' ' ILE . 1.9 mp -80.21 -28.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.185 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 24' ' ' ALA . 49.6 t-20 -108.24 41.54 1.54 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.206 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.63 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.857 0.361 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 4.45 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.192 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 25' ' ' TRP . . . -36.4 -34.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 1.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 52.0 p90 -94.36 -41.41 9.43 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.121 0.486 . . . . 1.0 110.574 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.569 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 57.8 ttt-85 -64.71 -26.48 68.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.059 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.01 -61.41 2.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.698 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.2 -30.28 49.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.441 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.637 ' O ' HG22 ' B' ' 38' ' ' VAL . . . -89.64 -59.18 1.55 Allowed Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.037 -0.602 . . . . 1.0 112.052 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.487 HG12 ' O ' ' B' ' 32' ' ' ARG . 5.4 p -47.0 -33.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 122.199 -0.589 . . . . 1.0 110.516 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.58 -58.95 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.637 HG22 ' O ' ' B' ' 35' ' ' GLY . 1.4 m -38.82 -20.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.926 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.67 -54.27 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 37' ' ' ALA . 20.2 mt -58.08 -34.8 70.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.135 -0.939 . . . . 1.0 109.998 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.69 -25.57 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 1.0 111.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 38' ' ' VAL . 33.3 t -85.83 -44.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 111.678 0.251 . . . . 1.0 111.678 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' B' ' 44' ' ' ILE . 15.7 m -57.8 -46.3 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.758 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.596 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.1 tp -73.94 -48.03 40.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.58 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.596 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -52.39 -34.22 46.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.318 . . . . 1.0 110.382 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.5 t -62.28 -44.65 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.836 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' B' ' 47' ' ' TRP . 6.6 m0 -73.67 -42.93 60.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' B' ' 48' ' ' LEU . 3.8 mm? -84.73 171.51 12.27 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.64 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 51' ' ' ASP . 9.2 t -146.88 159.97 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 30.3 t0 -153.32 -139.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.484 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -60.18 -176.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.595 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -155.4 19.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.196 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -28.7 0.28 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.034 0.445 . . . . 1.0 110.183 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' B' ' 55' ' ' ARG . 5.0 mmp_? -59.9 -40.64 89.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.576 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' B' ' 53' ' ' ILE . 54.6 t -45.86 -31.85 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.226 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 57' ' ' LEU . 1.0 OUTLIER -60.82 -50.95 71.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 109.874 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -55.43 -49.02 73.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.912 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.87 -55.48 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.32 -36.39 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.98 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.44 -59.92 4.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 -27.46 41.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.128 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ttp -58.69 -40.37 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.02 -34.76 63.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.478 HG22 HG21 ' A' ' 38' ' ' VAL . 12.0 t -61.44 -32.09 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.0 109.987 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 44.2 mmm -54.47 -48.68 71.51 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.36 -27.91 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.325 -0.55 . . . . 1.0 109.774 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.64 -27.21 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.863 0.319 . . . . 1.0 111.863 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.23 -52.77 3.56 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.713 0.292 . . . . 1.0 111.332 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' MET . 35.7 mm -63.75 -58.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.5 -0.555 . . . . 1.0 109.5 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 74' ' ' ALA . 2.6 tp -52.51 -35.75 53.78 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.287 -0.565 . . . . 1.0 109.69 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.4 -9.79 59.06 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 121.183 0.516 . . . . 1.0 110.002 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 77' ' ' ALA . 1.4 p -88.06 -49.63 6.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.22 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' C' ' 71' ' ' LEU . . . -58.29 -49.45 77.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.752 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.497 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 10.6 pt -66.53 -14.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.142 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.01 -34.7 12.93 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.57 -50.0 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.83 -42.96 65.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.964 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 79' ' ' VAL . 19.7 m -83.35 -26.9 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.683 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.86 -106.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.44 -54.8 2.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.405 HD11 HD12 ' C' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.38 -37.2 4.89 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p 53.89 84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 1.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.83 164.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.04 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -83.64 -14.91 50.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.652 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -55.23 -10.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.957 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.72 102.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.193 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.0 tp -174.7 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.61 30.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.171 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.6 170.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.473 ' O ' ' SD ' ' B' ' 96' ' ' MET . 35.2 ptt85 -86.53 -23.12 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.015 0.436 . . . . 1.0 110.192 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.45 72.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.482 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -66.28 -28.21 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.93 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.81 -40.59 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 1.0 110.747 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.1 mpt? -70.18 -44.37 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 1.0 109.982 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.515 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -64.64 -34.28 89.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.3 p -49.92 -32.25 14.26 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.898 0.38 . . . . 1.0 111.176 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.418 ' CB ' ' SD ' ' C' ' 66' ' ' MET . . . -94.99 -52.38 4.26 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -58.28 -24.03 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.31 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.705 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.8 p -68.49 -60.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.188 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.705 ' N ' HG13 ' B' ' 101' ' ' VAL . 13.7 mt -52.11 -44.92 64.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.76 -0.776 . . . . 1.0 109.405 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 106' ' ' ILE . 31.4 mt -74.47 -24.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.158 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -41.83 -49.88 4.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.816 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.462 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -62.59 -38.1 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 103' ' ' ILE . 22.4 mm -72.42 -30.67 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.926 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 93.4 t -65.36 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.994 0.426 . . . . 1.0 110.492 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.43 -24.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 91.9 t -87.24 -84.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 1.0 110.744 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.44 -25.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.041 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 59.9 m -59.28 -52.82 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.864 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.88 -30.87 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.158 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.8 -59.06 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.3 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.443 HG23 ' N ' ' B' ' 115' ' ' LEU . 14.7 tt -64.67 -40.26 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.987 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 114' ' ' ILE . 9.1 tp -57.39 -49.84 74.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.378 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.57 -47.17 56.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.081 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.68 -20.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 1.0 110.682 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.71 -24.66 66.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.539 ' O ' ' N ' ' B' ' 121' ' ' GLY . 0.1 OUTLIER -62.71 -15.49 53.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.949 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 92.4 t80 43.66 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.955 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.986 -1.452 . . . . 1.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' C' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -62.51 77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' C' ' 1' ' ' ALA . 54.0 t-20 -75.66 -52.51 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -66.64 -129.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -159.5 -37.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.74 56.56 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.537 ' CD2' ' N ' ' C' ' 8' ' ' THR . 54.1 p90 -75.1 -44.27 48.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 1.0 110.504 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.537 ' N ' ' CD2' ' C' ' 7' ' ' PHE . 13.4 m -53.0 -36.78 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.488 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 91.7 mtt-85 -59.07 -38.4 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.293 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -66.94 -48.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.312 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 mm -64.54 -48.06 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.067 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.76 -36.5 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.2 -40.64 94.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.91 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' C' ' 17' ' ' SER . . . 83.42 68.72 1.41 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.03 13.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.4 ' H ' ' C ' ' C' ' 15' ' ' GLY . 34.8 t -56.32 -43.17 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -63.89 -46.11 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.542 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -66.92 -41.58 86.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.17 -17.31 65.72 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.85 -47.94 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.715 0.293 . . . . 1.0 110.414 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.73 -35.47 81.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.455 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.18 63.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.565 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -63.68 -46.27 86.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.556 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' C' ' 30' ' ' ALA . 38.6 m0 -44.22 -41.15 5.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.685 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.716 HD12 ' N ' ' C' ' 26' ' ' ILE . 1.9 mp -80.18 -28.96 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.13 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' C' ' 24' ' ' ALA . 49.5 t-20 -108.4 41.58 1.54 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.138 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.62 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.075 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.81 4.44 1.48 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.256 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' C' ' 25' ' ' TRP . . . -36.36 -34.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 1.0 111.607 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 52.1 p90 -94.38 -41.39 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.0 110.602 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.572 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 57.9 ttt-85 -64.78 -26.53 68.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.993 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.97 -61.33 2.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.725 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.25 -30.25 49.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.508 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.641 ' O ' HG22 ' C' ' 38' ' ' VAL . . . -89.7 -59.12 1.54 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.064 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.477 HG12 ' O ' ' C' ' 32' ' ' ARG . 5.4 p -46.97 -33.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.216 -0.579 . . . . 1.0 110.571 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.55 -58.9 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.039 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.641 HG22 ' O ' ' C' ' 35' ' ' GLY . 1.4 m -38.91 -20.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.979 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.59 -54.33 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' C' ' 37' ' ' ALA . 20.3 mt -58.11 -34.77 70.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.098 -0.956 . . . . 1.0 109.945 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.53 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.765 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 38' ' ' VAL . 33.1 t -85.82 -44.23 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.65 0.241 . . . . 1.0 111.65 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.457 HG23 ' N ' ' C' ' 44' ' ' ILE . 15.7 m -57.73 -46.27 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.794 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.593 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.1 tp -73.96 -48.11 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.47 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.593 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -52.29 -34.33 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 1.0 110.397 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.26 -44.72 95.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.852 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' TRP . . . . . 0.537 ' CD1' ' N ' ' C' ' 47' ' ' TRP . 6.4 m0 -73.6 -42.84 61.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.604 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.543 HD22 ' N ' ' C' ' 48' ' ' LEU . 3.8 mm? -84.76 171.48 12.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.76 0.314 . . . . 1.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.58 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' VAL . . . . . 0.414 HG12 ' N ' ' C' ' 51' ' ' ASP . 9.3 t -146.85 159.99 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 30.6 t0 -153.33 -139.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.584 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -60.14 -176.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.2 OUTLIER -155.36 19.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.167 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -28.58 0.3 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.119 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.427 ' N ' ' HE ' ' C' ' 55' ' ' ARG . 5.0 mmp_? -59.91 -40.53 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.634 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 53' ' ' ILE . 54.7 t -45.98 -31.88 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.246 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.574 HD13 ' O ' ' C' ' 57' ' ' LEU . 1.1 tm? -60.69 -51.02 71.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 1.0 109.896 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 58' ' ' LEU . 0.2 OUTLIER -55.36 -49.05 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.953 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.91 -55.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.942 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 28.3 t -45.29 -36.39 4.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.995 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.61 -59.74 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.49 -27.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.109 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 27.4 ttp -58.69 -40.42 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.89 -34.73 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.494 HG22 HG21 ' B' ' 38' ' ' VAL . 11.8 t -61.69 -31.98 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.019 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.512 ' O ' ' N ' ' C' ' 70' ' ' ILE . 44.3 mmm -54.47 -48.69 71.48 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.35 -27.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.365 -0.534 . . . . 1.0 109.782 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.79 -27.09 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.792 0.294 . . . . 1.0 111.792 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -98.2 -52.85 3.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.726 0.298 . . . . 1.0 111.303 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' C' ' 66' ' ' MET . 35.9 mm -63.74 -58.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' B' ' 74' ' ' ALA . 2.6 tp -52.43 -35.73 52.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.151 -0.619 . . . . 1.0 109.757 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.36 -9.86 59.14 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.12 0.486 . . . . 1.0 110.008 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.448 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 p -88.03 -49.64 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.196 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -58.33 -49.39 77.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.817 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.503 ' CG2' ' HB1' ' B' ' 74' ' ' ALA . 10.5 pt -66.68 -14.27 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.08 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.05 -34.58 12.95 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.73 -50.0 72.81 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.428 -0.805 . . . . 1.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.8 -43.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.856 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.33 -26.99 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.76 -106.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -104.41 -54.81 2.46 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.808 0.299 . . . . 1.0 111.808 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.404 HD11 HD12 ' A' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.894 0.378 . . . . 1.0 110.056 -178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.36 -37.03 4.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p 53.86 84.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.729 0.299 . . . . 1.0 110.521 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.85 164.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.046 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -83.65 -14.86 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.685 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.34 -10.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.947 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.78 102.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.121 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.1 tp -174.74 -48.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.78 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.67 30.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.184 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.66 170.13 0.05 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.459 ' O ' ' SD ' ' C' ' 96' ' ' MET . 35.3 ptt85 -86.52 -23.2 25.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 110.172 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.32 72.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.467 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -66.33 -28.26 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.78 -40.55 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 1.0 110.713 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.1 mpt? -70.3 -44.38 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.525 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -64.57 -34.3 89.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.1 p -49.9 -32.28 14.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 1.0 111.22 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 66' ' ' MET . . . -94.98 -52.32 4.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -58.28 -24.14 58.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.256 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.9 p -68.44 -60.18 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.165 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' C' ' 101' ' ' VAL . 12.6 mt -52.17 -44.8 64.81 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.685 -0.806 . . . . 1.0 109.464 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' C' ' 106' ' ' ILE . 31.6 mt -74.44 -24.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.167 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -41.73 -49.93 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.854 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.458 ' O ' HG23 ' C' ' 109' ' ' VAL . 2.9 pt -62.62 -38.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' C' ' 103' ' ' ILE . 22.4 mm -72.55 -30.55 34.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.514 -0.474 . . . . 1.0 110.909 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 93.5 t -65.37 -77.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.03 0.443 . . . . 1.0 110.466 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.54 -23.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.488 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 91.3 t -87.27 -84.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.54 -25.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.12 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -59.33 -52.89 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.831 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.74 -31.01 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.144 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.8 -58.98 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.461 -0.496 . . . . 1.0 111.24 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.459 HG23 ' N ' ' C' ' 115' ' ' LEU . 14.8 tt -64.78 -40.27 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.859 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.459 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.8 tp -57.17 -50.0 74.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.427 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -71.54 -47.16 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.099 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.74 -20.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.979 0.419 . . . . 1.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 20.0 t -66.67 -24.7 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.8 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.1 OUTLIER -62.65 -15.55 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.949 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.4 t80 43.67 -88.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.951 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -60.64 -18.85 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 5' ' ' THR . 27.3 m120 -63.94 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 5' ' ' THR . 68.1 p 50.15 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.706 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' ASN . 53.4 p -152.31 -44.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.59 15.21 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CE2' ' OG1' ' A' ' 5' ' ' THR . 82.6 m-85 -57.84 -34.71 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 1.0 110.538 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -60.78 -37.28 81.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.657 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 84.0 mtt-85 -65.09 -38.08 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 10' ' ' ILE . 23.3 mt -66.23 -50.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.76 -49.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.038 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.99 -43.63 87.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.358 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 9' ' ' ARG . . . -60.73 -31.22 70.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -14.68 60.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.751 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.96 97.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.12 22.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 1.0 110.558 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -53.97 -43.17 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.715 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -60.97 -45.06 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -67.26 -37.22 83.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.625 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.87 -7.94 56.63 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -77.29 -49.94 13.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 1.0 110.23 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.77 -38.15 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.491 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.05 69.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.3 73.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.777 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.49 -61.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.768 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.23 -13.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.85 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.883 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 30' ' ' ALA . 88.7 mt-10 -139.0 -41.4 0.47 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -62.29 1.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 1.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -44.0 -21.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.705 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' ' SD ' ' C' ' 96' ' ' MET . 53.4 m-85 -72.2 -49.95 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.362 0.601 . . . . 1.0 109.518 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.38 -32.12 73.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.14 -65.46 0.66 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.4 mt-10 -40.7 -32.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.895 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.67 7.73 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -49.5 -37.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -8.92 27.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.219 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG22 HD22 ' B' ' 64' ' ' LEU . 59.6 t -94.38 -23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.635 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.4 mp -90.2 -62.51 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.064 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.2 mp -49.24 -41.93 39.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.85 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.72 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.583 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' VAL . 89.6 t -76.38 -38.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.0 t -47.03 -43.3 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.484 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.97 -45.42 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.151 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -64.79 -54.12 36.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -62.08 -56.61 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.767 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.79 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' ALA . 29.4 mt -102.07 -146.48 0.36 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.393 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.44 -150.17 0.46 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 50' ' ' VAL . 10.2 m -97.98 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.452 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' H ' HD11 ' B' ' 53' ' ' ILE . 17.4 t70 -161.75 -147.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -83.23 -174.57 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.233 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' C' ' 51' ' ' ASP . 36.6 pt -64.51 -28.76 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.74 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ILE . 67.8 p -35.52 -28.63 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.932 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.608 HH21 HD12 ' B' ' 57' ' ' LEU . 27.5 ttp85 -79.47 -49.26 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.361 0.6 . . . . 1.0 110.162 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ILE . 2.5 t -72.02 -36.01 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.934 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.597 HD12 HH21 ' C' ' 55' ' ' ARG . 5.2 tp -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.7 tp -48.2 -44.78 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.837 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' B' ' 64' ' ' LEU . 49.3 mt -76.94 -47.18 28.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.341 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 61' ' ' SER . 6.1 p -46.8 -55.71 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.714 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 60' ' ' SER . 38.8 p -63.53 -56.5 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.407 . . . . 1.0 110.362 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' LEU . 54.7 t -50.73 -37.62 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.158 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 15.7 tmm? -68.79 -44.52 73.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.765 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 HG22 ' C' ' 38' ' ' VAL . 9.5 mt -55.91 -51.86 66.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.724 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 p -63.09 -30.91 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.33 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.496 ' HB2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.8 -39.5 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.079 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.48 -39.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -87.58 -33.61 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.971 -0.292 . . . . 1.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.5 mt-10 -88.63 -81.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.6 -0.44 . . . . 1.0 110.457 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 66' ' ' MET . 13.6 mt -38.6 -51.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.102 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.2 tp -50.3 -37.11 34.8 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 119.39 -0.924 . . . . 1.0 109.792 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 69' ' ' GLU . 24.5 t30 -79.58 -13.97 59.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.181 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.7 t -90.09 -56.11 3.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.758 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 71' ' ' LEU . 7.1 tt -50.95 -37.0 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.704 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -86.17 -23.99 26.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.364 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.07 -53.13 61.74 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.423 -0.511 . . . . 1.0 109.708 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.01 -33.3 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.54 -24.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.826 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -80.47 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.496 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 82' ' ' ILE . 76.0 mtt85 -104.02 -58.96 1.8 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.405 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER 164.85 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.749 0.656 . . . . 1.0 109.575 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.497 ' H ' ' CG1' ' A' ' 82' ' ' ILE . . . 110.84 6.35 26.56 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 114.937 -1.029 . . . . 1.0 110.588 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -152.61 91.81 1.61 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' TYR . 10.6 pt-20 -92.81 -43.91 8.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.869 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 55.9 m-85 -86.1 -25.32 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.814 0.34 . . . . 1.0 111.296 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.527 ' CG ' ' OG ' ' A' ' 84' ' ' SER . 55.2 m80 -55.87 -62.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.527 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.71 92.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.681 0.277 . . . . 1.0 111.006 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -172.0 -53.46 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.688 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 91' ' ' GLY . 13.9 t -69.31 23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.44 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.87 171.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -89.63 -19.69 24.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.6 -51.59 58.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.778 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.92 69.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.306 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' OG ' ' A' ' 98' ' ' SER . 50.9 m-20 -47.36 -35.09 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.554 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' B' ' 31' ' ' PHE . 23.8 mtt -78.85 -46.67 18.14 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.442 -0.503 . . . . 1.0 110.181 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.07 -35.71 92.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.325 -1.11 . . . . 1.0 110.325 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 23.4 p -54.52 -26.87 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 1.0 111.281 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.97 -51.13 5.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -21.95 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.983 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.5 t -67.43 -65.97 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.798 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.24 -46.42 72.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.665 0.745 . . . . 1.0 109.718 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.4 mp -67.44 -20.23 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.233 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -45.41 -49.66 13.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.762 0.315 . . . . 1.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 1.0 110.004 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.31 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.024 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 109' ' ' VAL . 87.5 t -67.47 -73.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.62 -24.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.412 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 107' ' ' VAL . 86.0 t -92.98 -87.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 1.0 110.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.11 -35.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.307 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 12.0 m -59.68 -53.52 57.01 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.485 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 112' ' ' TRP . 15.2 t-105 -57.55 -28.21 63.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.79 -57.53 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' H ' ' A' ' 114' ' ' ILE . 1.9 tp -65.78 -46.74 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.443 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.88 -36.76 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.03 -49.08 39.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.744 . . . . 1.0 110.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -63.89 -34.29 77.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.413 ' OG ' HD12 ' B' ' 48' ' ' LEU . 6.8 t -59.22 -37.42 77.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.513 ' O ' ' N ' ' A' ' 121' ' ' GLY . 0.4 OUTLIER -64.89 -44.26 90.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.36 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.643 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.986 -1.452 . . . . 1.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -60.51 -18.87 54.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 5' ' ' THR . 27.3 m120 -63.96 -29.47 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 3' ' ' ASN . 67.7 p 50.23 -86.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 3' ' ' ASN . 52.5 p -152.35 -44.58 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.434 ' H ' ' H ' ' B' ' 7' ' ' PHE . . . 161.57 15.19 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.434 ' H ' ' H ' ' B' ' 6' ' ' GLY . 83.0 m-85 -57.81 -34.65 69.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 1.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -60.91 -37.22 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 83.8 mtt-85 -65.05 -38.16 89.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 23.4 mt -66.2 -50.15 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.394 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.85 -49.26 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.95 -43.71 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.33 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 9' ' ' ARG . . . -60.64 -31.25 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.593 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -14.72 60.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.42 -42.94 97.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -80.36 22.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 1.0 110.486 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -54.1 -42.92 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.737 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.1 m-90 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.644 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -67.39 -37.16 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.647 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.94 -7.87 56.85 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 21' ' ' LEU . 1.0 OUTLIER -77.3 -49.88 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 1.0 110.22 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.9 -38.02 73.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.528 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.24 73.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -67.41 -61.37 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.823 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.36 -13.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.83 -63.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.921 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 88.5 mt-10 -139.0 -41.58 0.47 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.029 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -62.42 1.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 1.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -44.02 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.65 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 53.7 m-85 -72.14 -49.96 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.325 0.583 . . . . 1.0 109.474 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.43 -32.01 73.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.116 -0.947 . . . . 1.0 109.811 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.2 -65.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 38' ' ' VAL . 77.9 mt-10 -40.55 -32.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.021 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -55.59 7.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.49 -37.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.104 -0.332 . . . . 1.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -9.02 27.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.615 HG22 HD22 ' C' ' 64' ' ' LEU . 59.5 t -94.41 -22.84 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.731 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.577 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.4 mp -90.24 -62.54 1.44 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.068 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.542 HD12 ' N ' ' B' ' 40' ' ' LEU . 9.2 mp -49.26 -41.94 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.84 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.7 76.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.612 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 38' ' ' VAL . 90.5 t -76.45 -38.55 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.8 t -46.98 -43.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.508 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.93 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.979 0.419 . . . . 1.0 110.205 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -64.71 -54.27 34.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.94 -56.69 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.781 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.71 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' B' ' 45' ' ' ALA . 29.6 mt -102.16 -146.56 0.36 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.329 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.34 -150.22 0.46 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.91 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.443 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' C' ' 53' ' ' ILE . 17.5 t70 -161.8 -147.27 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -83.16 -174.62 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.304 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.566 HD11 ' H ' ' A' ' 51' ' ' ASP . 36.9 pt -64.38 -28.83 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.776 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.418 ' C ' ' O ' ' B' ' 53' ' ' ILE . 69.6 p -35.47 -28.66 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.942 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.614 HH21 HD12 ' C' ' 57' ' ' LEU . 27.7 ttp85 -79.61 -49.13 12.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.095 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 53' ' ' ILE . 2.5 t -72.03 -36.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.902 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.608 HD12 HH21 ' A' ' 55' ' ' ARG . 5.1 tp -47.99 -47.69 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 62' ' ' VAL . 6.6 tp -48.21 -44.91 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.804 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' C' ' 64' ' ' LEU . 49.0 mt -76.85 -47.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' B' ' 61' ' ' SER . 6.0 p -46.84 -55.71 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.715 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' B' ' 60' ' ' SER . 39.0 p -63.53 -56.47 15.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 1.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 58' ' ' LEU . 54.6 t -50.7 -37.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' B' ' 63' ' ' MET . 15.7 tmm? -68.81 -44.45 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.769 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.612 HD22 HG22 ' A' ' 38' ' ' VAL . 9.4 mt -55.95 -51.94 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.682 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' B' ' 69' ' ' GLU . 6.4 p -63.03 -30.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.294 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.48 ' HB2' HD12 ' B' ' 70' ' ' ILE . 0.0 OUTLIER -62.74 -39.58 94.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.015 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.5 -39.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.65 -33.52 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.643 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' ASN . 31.6 mt-10 -88.79 -81.35 0.27 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 73' ' ' SER . 13.6 mt -38.55 -51.45 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.058 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 75' ' ' ILE . 6.1 tp -50.18 -37.23 33.83 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 119.423 -0.911 . . . . 1.0 109.775 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.7 t-20 -79.57 -13.97 59.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.035 0.445 . . . . 1.0 110.21 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 70' ' ' ILE . 2.7 t -90.02 -56.05 3.38 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.742 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.411 HG22 ' O ' ' B' ' 71' ' ' LEU . 7.0 tt -51.0 -36.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.4 -0.818 . . . . 1.0 109.694 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.32 -23.9 26.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.368 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.08 -53.24 60.53 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.95 -33.33 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.5 -24.26 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.825 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -80.47 -110.04 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.412 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.893 ' O ' HG23 ' B' ' 82' ' ' ILE . 75.9 mtt85 -104.0 -58.97 1.8 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.359 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.893 HG23 ' O ' ' B' ' 81' ' ' ARG . 0.6 OUTLIER 164.8 -90.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 121.412 0.625 . . . . 1.0 109.589 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.484 ' H ' ' CG1' ' B' ' 82' ' ' ILE . . . 110.83 6.32 26.6 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.657 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.529 ' OG ' ' CG ' ' B' ' 87' ' ' HIS . 0.2 OUTLIER -152.51 91.72 1.61 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.711 -0.477 . . . . 1.0 109.711 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' B' ' 86' ' ' TYR . 10.6 pt-20 -92.8 -43.79 8.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.909 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.436 ' N ' ' CG ' ' B' ' 85' ' ' GLU . 56.0 m-85 -86.12 -25.44 25.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.777 0.323 . . . . 1.0 111.256 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.529 ' CG ' ' OG ' ' B' ' 84' ' ' SER . 55.8 m80 -55.75 -62.22 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.486 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -39.75 92.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.762 0.315 . . . . 1.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.2 OUTLIER -171.98 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.745 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 14.0 t -69.3 23.35 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.404 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.85 171.62 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.65 -19.67 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.069 0.462 . . . . 1.0 109.878 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.62 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.868 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.93 69.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.212 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.439 ' O ' ' OG ' ' B' ' 98' ' ' SER . 51.3 m-20 -47.37 -35.1 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.527 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.583 ' SD ' ' CD1' ' C' ' 31' ' ' PHE . 24.3 mtt -78.79 -46.75 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.474 -0.491 . . . . 1.0 110.22 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.531 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.03 -35.71 92.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.273 -1.131 . . . . 1.0 110.273 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 23.1 p -54.64 -26.9 35.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.52 0.2 . . . . 1.0 111.152 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.95 -51.04 5.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.643 -0.503 . . . . 1.0 109.643 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.0 65.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.5 t -67.41 -65.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 120.984 -0.286 . . . . 1.0 110.75 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.2 -46.48 72.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.674 0.749 . . . . 1.0 109.705 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.495 HD12 ' N ' ' B' ' 103' ' ' ILE . 1.4 mp -67.47 -20.28 26.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.155 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -45.42 -49.61 13.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.031 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.9 -42.43 94.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.994 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.2 -30.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.029 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 109' ' ' VAL . 87.3 t -67.4 -72.91 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.798 -0.445 . . . . 1.0 109.798 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.72 -24.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.597 -0.729 . . . . 1.0 111.477 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 107' ' ' VAL . 86.1 t -92.95 -87.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 1.0 110.525 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 mt -45.2 -35.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.288 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 11.8 m -59.65 -53.6 56.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' TRP . . . . . 0.436 ' O ' ' CD1' ' B' ' 112' ' ' TRP . 15.3 t-105 -57.52 -28.17 63.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.76 -57.62 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.075 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.69 -46.74 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.462 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.93 -36.78 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.864 -0.791 . . . . 1.0 108.864 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.09 -48.98 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.359 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -64.0 -34.17 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' SER . . . . . 0.411 ' OG ' HD12 ' C' ' 48' ' ' LEU . 6.9 t -59.26 -37.51 77.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.642 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' B' ' 121' ' ' GLY . 0.4 OUTLIER -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.639 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.43 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 118.057 -1.413 . . . . 1.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -60.57 -18.9 55.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.595 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' C' ' 5' ' ' THR . 27.3 m120 -63.9 -29.51 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.518 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 3' ' ' ASN . 67.7 p 50.09 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.527 ' N ' ' O ' ' C' ' 3' ' ' ASN . 52.8 p -152.3 -44.57 0.1 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.44 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.52 15.22 0.03 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.405 ' CE2' ' OG1' ' C' ' 5' ' ' THR . 82.6 m-85 -57.9 -34.68 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 1.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -60.84 -37.2 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.653 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 84.1 mtt-85 -65.08 -38.14 89.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 23.9 mt -66.31 -50.01 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -58.86 -49.36 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.973 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -65.93 -43.74 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.313 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -60.64 -31.24 70.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.37 -14.76 60.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.706 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -43.01 97.38 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.2 22.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 1.0 110.597 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -53.91 -43.19 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.705 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -60.99 -44.99 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -67.4 -37.16 82.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.86 56.66 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.504 ' O ' HD23 ' C' ' 21' ' ' LEU . 1.0 OUTLIER -77.32 -49.92 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 1.0 110.24 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.85 -38.06 73.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.496 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.05 -28.12 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.576 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.7 -34.31 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.726 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -67.55 -61.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.719 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.33 -13.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.97 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.917 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' C' ' 30' ' ' ALA . 88.4 mt-10 -139.03 -41.39 0.47 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.873 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -62.31 1.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 1.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -44.0 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.636 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.583 ' CD1' ' SD ' ' B' ' 96' ' ' MET . 53.2 m-85 -72.22 -50.01 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.372 0.606 . . . . 1.0 109.473 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.44 -32.01 73.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.062 -0.972 . . . . 1.0 109.827 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.19 -65.35 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 77.8 mt-10 -40.79 -32.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.886 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.02 -55.67 7.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -49.4 -37.44 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.095 -0.335 . . . . 1.0 110.095 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.14 -8.99 27.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.205 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.611 HG22 HD22 ' A' ' 64' ' ' LEU . 59.2 t -94.39 -22.92 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.579 ' N ' HD12 ' C' ' 39' ' ' LEU . 9.4 mp -90.14 -62.76 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.073 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.524 ' N ' HD12 ' C' ' 40' ' ' LEU . 9.2 mp -48.94 -42.1 36.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.854 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.62 76.61 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.617 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 38' ' ' VAL . 91.0 t -76.4 -38.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.06 -43.2 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.448 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.92 -45.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 1.0 110.189 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -64.66 -54.29 34.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.02 -56.68 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.743 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -54.65 -53.7 51.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.506 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.411 HD12 ' OG ' ' B' ' 118' ' ' SER . 29.5 mt -102.27 -146.49 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.5 -150.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.526 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 m -97.91 -179.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' A' ' 53' ' ' ILE . 17.3 t70 -161.88 -147.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -83.23 -174.57 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.311 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' B' ' 51' ' ' ASP . 36.4 pt -64.44 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.685 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' C' ' 53' ' ' ILE . 67.8 p -35.43 -28.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.9 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.597 HH21 HD12 ' A' ' 57' ' ' LEU . 27.7 ttp85 -79.46 -49.27 12.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.3 0.571 . . . . 1.0 110.176 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' C' ' 53' ' ' ILE . 2.5 t -71.93 -36.11 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.963 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.614 HD12 HH21 ' B' ' 55' ' ' ARG . 5.1 tp -47.89 -47.77 31.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.924 -0.399 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.487 ' O ' HG23 ' C' ' 62' ' ' VAL . 6.6 tp -48.05 -45.09 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.774 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 64' ' ' LEU . 48.8 mt -76.75 -47.31 28.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.407 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' C' ' 61' ' ' SER . 5.9 p -46.69 -55.69 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.745 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' SER . . . . . 0.444 ' N ' ' OG ' ' C' ' 60' ' ' SER . 40.1 p -63.59 -56.4 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 1.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.487 HG23 ' O ' ' C' ' 58' ' ' LEU . 54.7 t -50.71 -37.77 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.104 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' C' ' 63' ' ' MET . 15.7 tmm? -68.66 -44.57 73.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.615 HD22 HG22 ' B' ' 38' ' ' VAL . 9.4 mt -55.83 -51.94 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.74 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.465 ' CG2' ' OE2' ' C' ' 69' ' ' GLU . 6.4 p -63.05 -30.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.39 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.488 ' HB2' HD12 ' C' ' 70' ' ' ILE . 0.0 OUTLIER -62.78 -39.5 94.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.116 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.38 -39.76 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 37.3 t -87.6 -33.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.673 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' C' ' 72' ' ' ASN . 31.5 mt-10 -88.72 -81.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.468 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' C' ' 66' ' ' MET . 13.5 mt -38.57 -51.42 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.992 -0.283 . . . . 1.0 111.08 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.418 ' O ' HG22 ' C' ' 75' ' ' ILE . 6.2 tp -50.3 -37.05 34.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 119.421 -0.912 . . . . 1.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' C' ' 69' ' ' GLU . 24.5 t30 -79.66 -13.99 59.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.145 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.461 ' N ' ' O ' ' C' ' 70' ' ' ILE . 2.7 t -90.0 -56.13 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.553 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -51.72 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.418 HG22 ' O ' ' C' ' 71' ' ' LEU . 7.1 tt -50.87 -37.01 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.741 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.29 -23.84 26.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.402 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.1 -53.18 61.19 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.452 -0.499 . . . . 1.0 109.727 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.02 -33.25 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.894 -0.78 . . . . 1.0 108.894 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -24.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.834 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.48 -110.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.441 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.892 ' O ' HG23 ' C' ' 82' ' ' ILE . 75.9 mtt85 -103.91 -59.0 1.79 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.39 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.892 HG23 ' O ' ' C' ' 81' ' ' ARG . 0.6 OUTLIER 164.78 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.443 0.64 . . . . 1.0 109.627 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.487 ' H ' ' CG1' ' C' ' 82' ' ' ILE . . . 110.92 6.24 26.5 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.613 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.522 ' OG ' ' CG ' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -152.48 91.83 1.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' C' ' 86' ' ' TYR . 10.7 pt-20 -92.86 -43.87 8.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.904 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' C' ' 85' ' ' GLU . 56.0 m-85 -86.13 -25.3 25.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.78 0.324 . . . . 1.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.522 ' CG ' ' OG ' ' C' ' 84' ' ' SER . 55.3 m80 -55.85 -62.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.593 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.9 92.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 1.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.2 OUTLIER -171.97 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.783 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' C' ' 91' ' ' GLY . 14.0 t -69.38 23.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.404 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.82 171.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.669 -0.973 . . . . 1.0 110.669 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.59 -19.7 24.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.164 0.507 . . . . 1.0 109.935 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.54 59.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.838 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -67.96 -29.97 69.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.222 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' ASP . . . . . 0.427 ' O ' ' OG ' ' C' ' 98' ' ' SER . 51.2 m-20 -47.23 -35.18 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.601 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD1' ' A' ' 31' ' ' PHE . 24.1 mtt -78.72 -46.8 18.18 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.197 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.535 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.93 -35.84 92.52 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 1.0 110.335 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 98' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 23.4 p -54.49 -26.88 34.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.548 0.213 . . . . 1.0 111.223 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.08 -22.04 65.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.982 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.535 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.6 t -67.33 -65.91 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.791 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.28 -46.42 72.71 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.638 0.732 . . . . 1.0 109.73 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.487 ' O ' HG23 ' C' ' 107' ' ' VAL . 1.4 mp -67.52 -20.06 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.398 -0.819 . . . . 1.0 110.254 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -45.63 -49.58 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.886 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.92 -42.43 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.0 109.942 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.21 -30.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.995 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 109' ' ' VAL . 88.7 t -67.3 -73.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.53 -24.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.49 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' C' ' 107' ' ' VAL . 86.4 t -92.93 -87.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.818 0.342 . . . . 1.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.13 -35.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.119 -0.492 . . . . 1.0 111.309 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 12.0 m -59.63 -53.57 56.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.581 -0.447 . . . . 1.0 110.504 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 112' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' C' ' 112' ' ' TRP . 15.4 t-105 -57.52 -28.23 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.8 -57.61 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.025 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.422 ' H ' HG22 ' C' ' 114' ' ' ILE . 1.9 tp -65.72 -46.76 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.86 -36.79 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 24.3 tp -71.96 -49.13 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -63.91 -34.36 77.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.44 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.41 ' OG ' HD12 ' A' ' 48' ' ' LEU . 6.9 t -59.17 -37.49 77.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 1.0 110.674 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.4 OUTLIER -64.83 -44.34 90.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.651 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.47 -86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -159.6 99.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' THR . 52.2 t-20 -169.32 137.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -169.14 79.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.526 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -165.94 -35.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.87 50.01 0.34 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' CD2' ' N ' ' A' ' 8' ' ' THR . 49.2 p90 -74.3 -45.6 46.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 1.0 110.69 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.493 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 7.7 m -51.81 -36.74 48.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.455 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 12.6 mmt85 -55.31 -37.36 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.94 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.78 -45.91 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.416 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.6 mp -66.5 -48.65 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' O ' ' CE2' ' A' ' 16' ' ' TYR . 23.8 mmtp -65.74 -37.96 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.424 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -60.66 -31.1 70.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -73.09 -14.45 61.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -75.53 18.8 2.72 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' CE2' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-85 -144.72 11.78 1.44 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.844 0.354 . . . . 1.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -53.4 -43.1 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -53.51 -44.39 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.77 -40.83 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.17 -22.18 74.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.024 -0.83 . . . . 1.0 111.024 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.57 -45.26 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.897 0.38 . . . . 1.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -68.17 -37.13 80.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.64 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.53 64.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' TRP . 4.5 m0 -64.35 -56.47 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.581 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -57.89 -20.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.232 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -107.02 42.84 1.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 168.98 -72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.682 0.614 . . . . 1.0 109.591 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 4.74 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.01 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -38.96 -32.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.444 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 21.0 t80 -91.33 -46.09 8.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 1.0 110.77 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.64 -25.38 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.029 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.4 tt0 -59.86 -59.03 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.371 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -95.01 -48.05 2.53 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.3 t -56.28 -40.49 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 122.749 -0.265 . . . . 1.0 111.112 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.15 -71.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 1.0 110.513 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 p -39.97 -18.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.712 -0.676 . . . . 1.0 111.087 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -87.3 -55.95 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.643 -0.873 . . . . 1.0 108.643 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.8 tp -66.82 -34.9 78.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.623 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.28 63.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.982 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.3 t -89.25 -37.72 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.659 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.44 -47.88 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.79 -47.14 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -55.07 -36.59 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.6 m -62.68 -46.0 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.986 0.422 . . . . 1.0 110.01 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.68 -26.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.2 mt -139.68 -67.95 0.43 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ALA . 15.1 t0 64.9 87.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.959 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -153.22 14.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.458 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -49.9 152.94 1.43 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.27 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.13 -65.34 1.02 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.617 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.3 m -46.46 -45.69 18.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.9 -47.39 71.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.58 -45.13 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.396 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.03 -50.66 35.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.377 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD12 ' CG2' ' C' ' 107' ' ' VAL . 3.5 mm? -51.17 -51.47 53.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 15.1 mm -63.12 -56.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.206 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.9 -52.54 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -64.85 -62.96 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.23 -30.43 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.975 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.412 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 24.7 ttm -63.37 -34.41 77.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.383 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.04 -48.15 69.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.025 0.441 . . . . 1.0 109.835 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.28 -33.77 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.397 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' GLU . 26.8 mtt -61.65 -45.42 94.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mm -45.1 -24.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.274 -0.571 . . . . 1.0 110.056 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.91 -31.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 1.0 110.732 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 66' ' ' MET . 27.6 mt-10 -93.44 -55.34 3.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.526 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 73' ' ' SER . 49.1 mt -65.71 -58.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.518 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -52.02 -35.68 47.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.094 -0.642 . . . . 1.0 109.708 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t-20 -71.31 -13.83 62.01 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -90.64 -53.07 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.14 -0.936 . . . . 1.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.88 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.469 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.4 pp -52.72 -39.75 32.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.573 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 80' ' ' ASP . 18.5 tt0 -82.55 -24.51 33.98 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.313 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.75 -52.25 66.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 t -53.17 -32.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 t -85.83 -25.03 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.103 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.9 m-20 -77.84 -102.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.441 0.534 . . . . 1.0 112.441 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 82' ' ' ILE . 82.2 mtt-85 -101.55 -10.1 20.41 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.128 0.418 . . . . 1.0 112.128 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.7 tt 34.62 98.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.002 0.43 . . . . 1.0 111.493 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.61 69.34 0.39 Allowed Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -166.9 30.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 1.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.48 -68.96 0.74 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.787 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -47.68 -32.36 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.739 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.64 -10.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -132.0 94.12 3.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.3 tp -106.27 -23.35 12.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.511 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.7 p -70.68 39.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.764 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.12 167.6 0.06 OUTLIER Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 96' ' ' MET . 28.6 ptt-85 -86.12 -21.71 27.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.077 0.465 . . . . 1.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.86 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' GLY . 68.4 tttt -66.77 -32.66 74.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -41.48 -36.72 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.834 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.3 mpt? -73.53 -44.6 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.511 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.12 -37.3 93.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -50.12 -31.5 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.617 0.246 . . . . 1.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB2' ' OE2' ' B' ' 69' ' ' GLU . . . -94.76 -51.1 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.771 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -58.89 -24.35 62.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.789 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.5 p -73.12 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.227 0.455 . . . . 1.0 112.227 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.3 tp -59.15 -44.14 92.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 1.0 111.09 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.01 -19.26 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.906 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -57.4 -41.2 79.85 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.256 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 109' ' ' VAL . 25.0 mt -62.12 -46.84 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.577 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.2 mp -75.87 -30.03 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.85 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 109' ' ' VAL . 45.3 t -83.24 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.637 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' ALA . . . -27.69 -36.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.435 0.459 . . . . 1.0 112.005 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.868 HG23 ' H ' ' A' ' 110' ' ' ILE . 30.3 m -81.11 -66.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.795 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.868 ' H ' HG23 ' A' ' 109' ' ' VAL . 22.8 mt -51.35 -24.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 120.64 0.257 . . . . 1.0 110.321 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 115' ' ' LEU . 8.8 m -59.54 -53.85 53.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -68.29 -23.71 64.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.059 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.66 -58.31 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.219 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.3 mp -67.18 -41.18 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 111' ' ' THR . 5.7 mp -56.36 -36.06 68.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 9.3 tp -71.68 -40.16 69.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.97 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -53.22 -20.7 4.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.03 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 120' ' ' PHE . 3.2 m -62.22 -28.07 69.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.445 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.03 -0.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.68 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.512 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 76.8 t80 -52.79 166.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.539 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.512 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.982 -1.455 . . . . 1.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -159.65 99.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' B' ' 4' ' ' THR . 52.3 t-20 -169.25 137.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.603 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 0.1 OUTLIER -169.23 79.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.556 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -165.95 -35.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.51 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.91 50.12 0.34 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' B' ' 8' ' ' THR . 49.1 p90 -74.36 -45.56 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 1.0 110.681 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.497 ' N ' ' CD2' ' B' ' 7' ' ' PHE . 7.8 m -51.88 -36.63 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.453 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 12.6 mmt85 -55.44 -37.18 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.013 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.96 -45.8 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.321 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.617 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.6 mp -66.54 -48.6 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.527 ' O ' ' CE2' ' B' ' 16' ' ' TYR . 23.8 mmtp -65.77 -37.86 87.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -60.67 -31.15 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.979 0.419 . . . . 1.0 110.495 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -73.05 -14.53 61.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.635 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.518 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -75.52 18.8 2.71 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' B' ' 12' ' ' LYS . 7.1 m-85 -144.73 11.93 1.45 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.762 0.315 . . . . 1.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.1 p -53.61 -42.92 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.668 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -53.58 -44.41 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.618 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.72 -40.89 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.09 -22.22 74.12 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.79 -44.97 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 1.0 110.572 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -68.37 -37.09 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.677 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.64 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.58 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.659 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.47 ' N ' ' CD1' ' B' ' 25' ' ' TRP . 4.5 m0 -64.39 -56.4 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.617 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.85 -20.82 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.24 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -107.01 42.9 1.22 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.361 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 168.97 -72.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.622 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.13 4.85 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.978 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.438 ' O ' ' OE2' ' B' ' 34' ' ' GLU . . . -38.95 -32.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 1.0 111.462 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' B' ' 31' ' ' PHE . 20.8 t80 -91.31 -46.16 8.2 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.42 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.033 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' B' ' 35' ' ' GLY . 55.4 tt0 -59.86 -58.99 6.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -41.29 -23.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -95.06 -48.06 2.51 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.39 -40.3 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.575 0.226 . . . . 1.0 111.136 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.17 -71.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 1.0 110.47 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 42' ' ' VAL . 4.4 p -39.8 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.175 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.0 tp -87.41 -55.8 3.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tp -66.82 -34.83 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.255 -0.884 . . . . 1.0 110.647 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.45 -24.24 62.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.956 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.2 t -89.23 -37.62 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.683 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -55.48 -47.85 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.78 -47.16 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.466 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 49' ' ' ASP . . . -55.12 -36.51 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 48' ' ' LEU . 68.6 m -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.941 0.4 . . . . 1.0 110.007 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -40.65 -26.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 46' ' ' CYS . 12.2 mt -139.69 -67.85 0.43 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 45' ' ' ALA . 14.9 t0 64.67 87.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.013 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -153.35 14.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -49.89 153.01 1.41 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.25 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.24 -65.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.385 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.64 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 54.7 m -46.4 -45.79 18.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.85 -47.37 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -45.07 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -48.97 -50.7 34.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.936 0.398 . . . . 1.0 110.397 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.521 HD12 ' CG2' ' A' ' 107' ' ' VAL . 3.5 mm? -51.11 -51.42 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 63' ' ' MET . 15.0 mm -63.21 -56.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.8 t -48.88 -52.56 23.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.74 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -65.06 -62.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.007 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.29 -30.34 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.915 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' B' ' 59' ' ' ILE . 24.7 ttm -63.55 -34.34 77.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.37 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.06 -48.12 69.23 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.25 -33.88 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.322 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.49 ' O ' ' N ' ' B' ' 69' ' ' GLU . 26.7 mtt -61.74 -45.35 94.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.8 mm -45.13 -24.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.923 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 12.0 t -90.92 -31.68 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.711 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 66' ' ' MET . 27.6 mt-10 -93.4 -55.22 3.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.567 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' B' ' 66' ' ' MET . 49.0 mt -65.88 -58.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.4 tp -52.19 -35.61 49.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.683 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' B' ' 72' ' ' ASN . 2.1 t-20 -71.33 -13.74 61.97 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.368 0.604 . . . . 1.0 109.496 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.467 ' O ' ' N ' ' B' ' 77' ' ' ALA . 3.5 t -90.76 -53.01 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.502 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.81 66.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.534 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.4 pp -52.83 -39.64 32.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.766 -0.774 . . . . 1.0 109.553 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 80' ' ' ASP . 18.3 tt0 -82.53 -24.56 34.01 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.315 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.21 66.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.401 HG23 ' H ' ' B' ' 78' ' ' VAL . 18.6 t -53.16 -32.23 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.681 -0.69 . . . . 1.0 109.299 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.87 -24.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.154 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 76' ' ' GLU . 64.3 m-20 -78.0 -101.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.41 0.522 . . . . 1.0 112.41 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 82' ' ' ILE . 82.4 mtt-85 -101.57 -10.09 20.4 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.5 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 121.102 0.477 . . . . 1.0 111.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.53 69.25 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -166.91 30.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 1.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -89.57 -68.93 0.75 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -47.61 -32.37 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.59 -10.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.734 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -132.04 94.22 3.43 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.497 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.1 tp -106.05 -23.79 12.54 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -70.41 39.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.27 167.69 0.07 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' B' ' 96' ' ' MET . 28.6 ptt-85 -86.29 -21.7 27.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.036 0.446 . . . . 1.0 109.875 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.41 -50.9 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.629 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 97' ' ' GLY . 68.5 tttt -66.73 -32.68 74.14 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.861 -0.335 . . . . 1.0 110.686 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -41.38 -36.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.932 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' B' ' 96' ' ' MET . 1.3 mpt? -73.57 -44.58 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.806 -0.442 . . . . 1.0 109.806 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.13 -37.4 94.07 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 59.7 m -50.04 -31.41 12.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.64 0.257 . . . . 1.0 111.59 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ALA . . . . . 0.423 ' HB2' ' OE2' ' C' ' 69' ' ' GLU . . . -94.87 -51.14 4.82 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.787 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -59.04 -24.14 62.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.817 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.4 p -73.29 -60.24 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.995 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.9 pp -76.41 -19.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.0 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -57.31 -41.27 79.55 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.216 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 109' ' ' VAL . 24.4 mt -61.95 -47.12 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.582 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.515 HD12 ' H ' ' B' ' 106' ' ' ILE . 5.0 mp -75.64 -30.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.889 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 109' ' ' VAL . 44.9 t -83.18 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.649 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -27.75 -36.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.498 0.499 . . . . 1.0 111.973 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.847 HG23 ' H ' ' B' ' 110' ' ' ILE . 30.2 m -81.22 -66.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.847 ' H ' HG23 ' B' ' 109' ' ' VAL . 23.0 mt -51.38 -24.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 1.0 110.328 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.452 ' O ' HD13 ' B' ' 115' ' ' LEU . 8.5 m -59.5 -54.02 51.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.786 0.327 . . . . 1.0 110.73 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -68.29 -23.73 64.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.044 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.61 -58.26 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.241 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.3 mp -67.28 -41.18 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.764 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 111' ' ' THR . 5.7 mp -56.41 -35.99 68.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 119' ' ' HIS . 9.4 tp -71.76 -40.09 69.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.909 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -53.29 -20.59 4.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.073 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 120' ' ' PHE . 3.2 m -62.36 -28.01 69.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.443 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -63.91 -0.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.771 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.512 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 76.8 t80 -52.75 166.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.512 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.976 -1.458 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -159.63 98.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' C' ' 4' ' ' THR . 52.3 t-20 -169.35 137.57 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.558 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.422 ' N ' ' OD1' ' C' ' 3' ' ' ASN . 0.1 OUTLIER -169.14 79.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -165.95 -35.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.82 50.02 0.34 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.501 ' CD2' ' N ' ' C' ' 8' ' ' THR . 49.6 p90 -74.29 -45.63 46.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 1.0 110.666 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.501 ' N ' ' CD2' ' C' ' 7' ' ' PHE . 7.6 m -51.84 -36.63 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.474 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 12.7 mmt85 -55.41 -37.32 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.93 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.9 -45.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.342 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ILE . . . . . 0.642 HD12 ' N ' ' C' ' 11' ' ' ILE . 1.6 mp -66.6 -48.55 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LYS . . . . . 0.516 ' O ' ' CE2' ' C' ' 16' ' ' TYR . 23.8 mmtp -65.75 -38.01 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.38 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -60.63 -31.09 70.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.993 0.425 . . . . 1.0 110.553 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -73.06 -14.53 61.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.595 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -75.48 18.82 2.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 15' ' ' GLY . 7.2 m-85 -144.73 11.79 1.44 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.768 0.318 . . . . 1.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -53.47 -43.05 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -53.55 -44.35 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.644 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.73 -40.85 79.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.696 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.16 -22.16 74.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.83 -44.88 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 1.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -68.38 -37.09 80.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.23 -44.51 64.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' C' ' 25' ' ' TRP . 4.5 m0 -64.4 -56.35 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.02 -20.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.254 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -107.0 42.81 1.24 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 169.05 -72.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.596 0.56 . . . . 1.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.14 4.77 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.992 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.436 ' O ' ' OE2' ' C' ' 34' ' ' GLU . . . -38.84 -32.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 111.471 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' C' ' 31' ' ' PHE . 20.6 t80 -91.4 -46.06 8.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.929 0.395 . . . . 1.0 110.725 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.44 67.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.1 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' C' ' 35' ' ' GLY . 55.4 tt0 -59.9 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.835 -0.802 . . . . 1.0 108.835 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.407 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.96 -48.1 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 76.0 t -56.23 -40.41 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 122.795 -0.238 . . . . 1.0 111.155 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.19 -71.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 1.0 110.525 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.498 ' O ' HG23 ' C' ' 42' ' ' VAL . 4.4 p -39.84 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.118 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.7 tp -87.23 -56.0 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.627 -0.879 . . . . 1.0 108.627 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.2 tp -66.94 -34.74 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.64 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -24.23 62.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.943 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.1 t -89.26 -37.75 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.36 -47.87 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.79 -47.14 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' C' ' 49' ' ' ASP . . . -55.14 -36.47 65.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.653 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' C' ' 48' ' ' LEU . 68.5 m -62.73 -45.94 90.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 1.0 109.989 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.72 -26.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' C' ' 46' ' ' CYS . 12.2 mt -139.64 -67.92 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' C' ' 45' ' ' ALA . 14.9 t0 64.86 87.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.931 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -153.22 14.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.491 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -49.75 152.93 1.35 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.31 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.14 -65.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.41 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.83 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.71 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 55.1 m -46.47 -45.72 18.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.452 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.84 -47.56 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.45 -45.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.04 -50.64 35.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.884 0.373 . . . . 1.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.514 HD12 ' CG2' ' B' ' 107' ' ' VAL . 3.5 mm? -51.25 -51.32 55.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' C' ' 63' ' ' MET . 15.0 mm -63.22 -56.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.216 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.86 -52.65 23.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -64.92 -62.84 1.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.29 -30.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.96 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' C' ' 59' ' ' ILE . 24.6 ttm -63.64 -34.24 77.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.34 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -48.18 69.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.031 0.444 . . . . 1.0 109.864 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.31 -33.88 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.378 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.494 ' O ' ' N ' ' C' ' 69' ' ' GLU . 26.9 mtt -61.61 -45.35 94.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.14 -24.55 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.393 -0.523 . . . . 1.0 109.95 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.94 -31.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 66' ' ' MET . 27.6 mt-10 -93.48 -55.32 3.33 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.5 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' C' ' 73' ' ' SER . 49.4 mt -65.79 -58.17 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.51 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.5 tp -52.05 -35.73 48.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.733 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' C' ' 72' ' ' ASN . 2.1 t-20 -71.25 -13.83 62.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.316 0.579 . . . . 1.0 109.453 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.6 t -90.64 -53.19 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.472 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.93 66.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.514 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.4 pp -52.71 -39.57 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.619 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' C' ' 80' ' ' ASP . 18.6 tt0 -82.65 -24.57 33.71 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.854 -0.338 . . . . 1.0 110.271 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.8 -52.16 66.61 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 t -53.2 -32.31 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.245 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.86 -24.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.551 -0.75 . . . . 1.0 111.118 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' C' ' 76' ' ' GLU . 64.1 m-20 -77.85 -101.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.437 0.532 . . . . 1.0 112.437 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' C' ' 82' ' ' ILE . 82.3 mtt-85 -101.57 -10.12 20.38 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 34.53 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.064 0.459 . . . . 1.0 111.553 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.56 69.27 0.39 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 m -166.87 30.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 1.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -89.45 -68.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.76 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -47.68 -32.41 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.706 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -56.55 -10.32 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -132.0 94.2 3.44 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.522 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.1 tp -105.95 -23.86 12.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 21.4 p -70.49 39.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 56.01 167.57 0.06 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.686 -0.966 . . . . 1.0 110.686 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' C' ' 96' ' ' MET . 28.6 ptt-85 -86.09 -21.72 27.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.987 0.423 . . . . 1.0 109.929 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.82 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 97' ' ' GLY . 68.4 tttt -66.82 -32.62 74.02 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.725 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -41.41 -36.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.873 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.3 mpt? -73.61 -44.55 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.504 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.2 -37.31 93.89 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 59.3 m -50.1 -31.4 13.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 1.0 111.591 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 99' ' ' ALA . . . . . 0.428 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . . . -94.78 -51.2 4.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.793 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -58.89 -24.37 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.632 -0.713 . . . . 1.0 111.801 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.4 p -73.15 -60.14 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.3 tp -58.93 -44.46 91.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.0 111.06 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.86 -19.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.918 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -57.25 -41.26 79.28 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.485 ' O ' HG22 ' C' ' 109' ' ' VAL . 25.2 mt -62.15 -46.79 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.593 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.508 HD12 ' H ' ' C' ' 106' ' ' ILE . 5.1 mp -75.9 -30.11 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.774 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' C' ' 109' ' ' VAL . 44.9 t -83.18 -73.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.601 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -27.7 -36.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.477 0.486 . . . . 1.0 112.0 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.873 HG23 ' H ' ' C' ' 110' ' ' ILE . 30.1 m -81.19 -66.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 110' ' ' ILE . . . . . 0.873 ' H ' HG23 ' C' ' 109' ' ' VAL . 23.3 mt -51.26 -24.67 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.671 0.272 . . . . 1.0 110.406 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.445 ' O ' HD13 ' C' ' 115' ' ' LEU . 8.6 m -59.57 -53.95 52.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.865 0.364 . . . . 1.0 110.766 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -68.21 -23.7 64.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.115 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.69 -58.3 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.184 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.3 mp -67.15 -41.32 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.767 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.445 HD13 ' O ' ' C' ' 111' ' ' THR . 5.7 mp -56.37 -35.94 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' C' ' 119' ' ' HIS . 9.3 tp -71.72 -40.16 69.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.96 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -53.17 -20.67 4.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.081 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.413 ' C ' ' H ' ' C' ' 120' ' ' PHE . 3.3 m -62.38 -27.97 69.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' C' ' 116' ' ' LEU . 0.0 OUTLIER -64.04 -0.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.704 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 76.8 t80 -52.73 166.34 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.51 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.719 0 CA-C-O 117.906 -1.497 . . . . 1.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.37 -27.15 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 4' ' ' THR . 9.3 m120 -65.77 117.07 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' ASN . 33.8 p 53.14 107.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.694 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 p -148.57 -38.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.0 -21.87 78.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -80.19 -30.38 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 1.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.7 p -72.9 -37.66 67.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.628 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -57.33 -49.16 77.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.643 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 10' ' ' ILE . 12.9 pt -65.69 -40.91 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.43 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.69 -49.16 84.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.158 -0.682 . . . . 1.0 109.158 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -66.07 -40.24 90.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.0 73.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -22.68 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' O ' ' CH2' ' A' ' 18' ' ' TRP . . . -42.99 -34.59 2.04 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 11.4 p90 -127.97 50.64 2.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.835 0.35 . . . . 1.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -67.64 -43.49 80.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.784 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CH2' ' O ' ' A' ' 15' ' ' GLY . 17.2 p90 -55.54 -39.48 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.69 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 81.9 tttt -66.76 -40.34 88.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.603 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.52 -5.97 89.57 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.76 -48.73 44.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.723 0.296 . . . . 1.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -70.41 -24.98 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.557 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.01 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.71 89.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.668 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' HE1' ' CD ' ' A' ' 33' ' ' GLN . 8.1 t-105 -42.24 -44.43 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.794 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 23.6 pt -92.36 -22.76 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.553 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.31 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.494 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.477 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -73.5 5.75 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.838 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' C' ' 96' ' ' MET . . . -40.27 -36.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.165 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 32' ' ' ARG . 33.8 p90 -84.57 -49.19 8.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.539 . . . . 1.0 110.799 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.605 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 14.3 ttm180 -62.73 -23.29 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.943 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.465 ' CD ' ' HE1' ' A' ' 25' ' ' TRP . 10.1 tt0 -59.26 -61.28 2.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -26.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.276 -0.875 . . . . 1.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.44 -46.86 3.4 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.449 -0.66 . . . . 1.0 111.449 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.9 t -46.74 -33.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.464 -0.433 . . . . 1.0 110.155 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.61 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.479 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -35.58 -24.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.311 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' ALA . 8.8 tp -89.96 -49.72 6.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -61.31 -36.73 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.282 -0.872 . . . . 1.0 110.46 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.98 -26.06 62.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 38' ' ' VAL . 23.7 t -76.61 -42.28 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.041 -0.264 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -47.14 -46.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 1.0 110.223 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.98 -39.35 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.406 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -51.86 -51.44 56.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.2 t -56.08 -49.15 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.462 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' ALA . 2.6 pp -160.85 135.28 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 29.6 p-10 -110.64 71.62 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.8 p -158.4 130.32 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.497 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.08 113.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.01 171.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.168 0.508 . . . . 1.0 111.045 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' THR . 2.4 pp -44.61 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.003 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.69 0.07 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.739 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.468 HH21 ' CD1' ' B' ' 57' ' ' LEU . 50.6 ttp85 -79.89 -47.89 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.783 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.4 t -62.66 -32.4 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD1' HH21 ' C' ' 55' ' ' ARG . 8.7 tp -48.76 -49.8 36.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.93 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.9 mm? -48.97 -51.7 29.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.89 -26.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.057 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -76.16 -55.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 1.0 110.304 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 p -64.76 -58.39 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 58' ' ' LEU . 3.0 p -49.86 -36.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.711 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 63' ' ' MET . 14.2 tmm? -68.21 -40.67 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 1.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -62.08 -53.44 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.687 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -34.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' VAL . 5.5 mmt -68.67 -26.95 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.796 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 64' ' ' LEU . 3.2 tt -55.33 -36.08 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 68' ' ' VAL . 3.8 m -85.29 -21.19 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' SER . 26.8 mm-40 -97.08 -79.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.899 -0.408 . . . . 1.0 109.899 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' SER . 2.2 mm -39.68 -60.31 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.9 tp -52.34 -40.02 61.42 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.4 t-20 -75.56 -10.22 59.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.334 0.588 . . . . 1.0 109.677 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.0 m -91.11 -51.65 5.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.16 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.91 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.6 pt -48.79 -36.99 8.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 119.951 -0.7 . . . . 1.0 109.321 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.2 mt-10 -82.95 -25.3 32.48 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.108 -0.33 . . . . 1.0 110.108 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -54.87 42.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.768 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.04 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.091 0.472 . . . . 1.0 109.803 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.65 -31.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.281 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLU . 9.1 m-20 -83.44 -108.1 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.577 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.74 ' H ' ' NH2' ' C' ' 92' ' ' ARG . 39.0 ttm-85 -104.3 6.24 35.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.179 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.85 -112.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.83 -143.02 5.65 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.611 -0.996 . . . . 1.0 110.611 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.49 81.17 8.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 1.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.87 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.91 -31.78 25.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.43 -34.55 77.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.46 110.62 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.0 tp -173.79 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.8 m -72.53 34.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.67 169.58 0.05 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.744 ' NH2' ' H ' ' B' ' 81' ' ' ARG . 12.3 ttm180 -85.44 -25.21 27.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.957 0.408 . . . . 1.0 110.322 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.99 -51.05 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.39 73.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.788 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.37 -40.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 1.0 110.985 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.52 ' HB2' ' HB1' ' B' ' 30' ' ' ALA . 41.0 mtt -74.61 -44.54 50.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.344 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.82 -35.88 92.44 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -52.79 -28.14 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.853 0.359 . . . . 1.0 110.809 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.15 -54.11 3.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.17 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 97' ' ' GLY . 3.6 t -66.28 -64.04 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.302 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.44 -47.4 66.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.185 0.517 . . . . 1.0 110.526 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 107' ' ' VAL . 17.8 mm -70.56 -21.21 22.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.692 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.57 -49.82 5.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.95 -38.77 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ILE . 24.4 mm -70.31 -31.1 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.507 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' VAL . 82.3 t -67.34 -77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.998 0.427 . . . . 1.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.37 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.703 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 107' ' ' VAL . 36.7 t -95.4 -83.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.639 0.257 . . . . 1.0 111.237 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.6 mm -45.58 -43.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.328 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.4 m -61.26 -47.35 86.42 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.419 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -66.87 -32.34 73.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.97 0.414 . . . . 1.0 110.073 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.84 -57.9 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -67.1 -40.8 86.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.54 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.77 -31.48 62.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 118' ' ' SER . 6.8 tp -71.54 -34.72 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.198 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.18 -20.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.084 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 116' ' ' LEU . 29.5 m -50.95 -22.81 2.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.501 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 6.1 p80 -62.74 -24.2 67.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.68 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 90.7 t80 45.38 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.714 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.519 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.33 -27.16 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' B' ' 4' ' ' THR . 9.3 m120 -65.86 117.13 7.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.423 ' O ' ' O ' ' B' ' 3' ' ' ASN . 33.9 p 53.06 107.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.7 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -148.46 -38.75 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.377 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.93 -21.83 78.27 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -80.19 -30.39 38.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 1.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -72.96 -37.61 67.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -57.41 -49.13 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.66 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -65.73 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.433 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.63 -49.27 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -66.03 -40.26 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.442 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.01 73.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.23 -22.81 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.519 ' O ' ' CH2' ' B' ' 18' ' ' TRP . . . -42.89 -34.64 1.99 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.098 -0.801 . . . . 1.0 111.098 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' B' ' 16' ' ' TYR . 11.5 p90 -128.0 50.77 2.02 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.88 0.371 . . . . 1.0 110.38 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.9 p -67.8 -43.05 80.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' O ' ' B' ' 15' ' ' GLY . 17.0 p90 -55.88 -39.43 71.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.709 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' B' ' 18' ' ' TRP . 82.1 tttt -66.93 -40.13 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.65 -5.87 89.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.75 -48.88 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 1.0 110.458 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.33 -24.96 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.49 -28.04 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.459 ' NE1' ' OE1' ' B' ' 33' ' ' GLN . 8.2 t-105 -42.23 -44.55 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.773 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 23.8 pt -92.32 -22.66 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.641 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -108.39 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 29' ' ' ALA . 3.7 tm-20 -179.12 -81.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.488 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' B' ' 28' ' ' GLU . . . -73.59 5.75 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 96' ' ' MET . . . -40.11 -36.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.175 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.607 ' CG ' ' N ' ' B' ' 32' ' ' ARG . 33.8 p90 -84.52 -49.08 8.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.288 0.566 . . . . 1.0 110.841 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.607 ' N ' ' CG ' ' B' ' 31' ' ' PHE . 14.3 ttm180 -62.77 -23.42 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.895 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.459 ' OE1' ' NE1' ' B' ' 25' ' ' TRP . 10.1 tt0 -59.16 -61.28 2.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.579 -0.897 . . . . 1.0 108.579 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -40.97 -26.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.309 -0.86 . . . . 1.0 110.604 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -92.42 -46.79 3.42 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.507 -0.637 . . . . 1.0 111.507 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -46.78 -33.99 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.207 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.6 -66.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.541 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -35.6 -24.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.305 -178.372 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' ALA . 8.8 tp -89.9 -49.69 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.9 tp -61.38 -36.58 80.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.534 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.09 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.251 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 38' ' ' VAL . 23.9 t -76.54 -42.3 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.683 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.02 -46.53 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 1.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 44' ' ' ILE . 18.7 pt -75.03 -39.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.405 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -51.86 -51.39 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.17 -49.18 74.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.968 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -54.96 -32.41 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' B' ' 45' ' ' ALA . 2.5 pp -160.83 135.23 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 49' ' ' ASP . 29.7 p-10 -110.6 71.58 0.75 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.443 ' O ' HG13 ' B' ' 50' ' ' VAL . 10.9 p -158.28 130.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.05 113.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.354 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.51 171.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.147 0.499 . . . . 1.0 111.016 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.4 pp -44.62 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.029 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.422 ' C ' ' O ' ' B' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.76 0.07 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.379 0.425 . . . . 1.0 110.786 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.456 HH21 ' CD1' ' C' ' 57' ' ' LEU . 50.8 ttp85 -79.87 -47.89 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.748 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 53' ' ' ILE . 11.3 t -62.5 -32.41 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.468 ' CD1' HH21 ' A' ' 55' ' ' ARG . 8.8 tp -48.87 -49.7 38.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.893 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.534 ' O ' HG12 ' B' ' 62' ' ' VAL . 3.9 mm? -49.03 -51.72 29.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 1.0 109.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.02 -26.65 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 1.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -64.88 -58.37 6.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.083 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.534 HG12 ' O ' ' B' ' 58' ' ' LEU . 3.0 p -49.91 -36.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.689 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 63' ' ' MET . 14.2 tmm? -68.33 -40.73 81.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 1.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.518 ' O ' HG22 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -62.02 -53.48 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.49 -34.16 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' B' ' 62' ' ' VAL . 5.5 mmt -68.74 -26.85 65.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.735 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 64' ' ' LEU . 3.2 tt -55.47 -36.03 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.635 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' VAL . 3.8 m -85.34 -21.11 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.74 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' B' ' 73' ' ' SER . 26.6 mm-40 -97.09 -79.37 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 73' ' ' SER . 2.2 mm -39.73 -60.23 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.9 tp -52.45 -39.9 61.61 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.322 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.5 t-20 -75.72 -10.13 59.18 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.29 0.567 . . . . 1.0 109.647 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.9 m -91.02 -51.71 5.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.629 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.2 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.887 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' B' ' 71' ' ' LEU . 35.5 pt -48.77 -36.98 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.347 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 80' ' ' ASP . 53.3 mt-10 -82.96 -25.21 32.52 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.152 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.4 -54.91 41.64 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.464 -0.495 . . . . 1.0 110.779 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.02 22.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.872 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.65 -31.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.34 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' B' ' 76' ' ' GLU . 9.2 m-20 -83.4 -108.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.619 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.744 ' H ' ' NH2' ' A' ' 92' ' ' ARG . 39.2 ttm-85 -104.36 6.28 35.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 13.0 mt 64.93 -112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.81 -142.96 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -85.5 81.21 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.286 . . . . 1.0 110.52 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.94 22.01 0.98 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.482 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.97 25.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.18 -34.62 77.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.944 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.43 110.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.8 tp -173.58 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.749 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -72.44 34.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.5 169.6 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' C' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.27 27.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.902 0.382 . . . . 1.0 110.312 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.1 69.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.74 -32.45 73.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.76 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.35 -40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 1.0 110.882 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' C' ' 30' ' ' ALA . 41.0 mtt -74.54 -44.56 50.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.361 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.82 -35.97 92.55 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 29.0 t -52.76 -28.13 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 1.0 110.791 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.13 -54.12 3.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.28 -21.35 59.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 97' ' ' GLY . 3.6 t -66.22 -64.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.392 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.47 -47.27 66.6 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 1.0 110.582 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.462 HG22 HG23 ' B' ' 107' ' ' VAL . 18.0 mm -70.64 -21.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.696 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.53 -49.8 5.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.835 -0.346 . . . . 1.0 110.831 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.401 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -64.0 -38.77 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' B' ' 103' ' ' ILE . 24.2 mm -70.2 -31.22 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.604 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' B' ' 109' ' ' VAL . 82.8 t -67.3 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-O 121.066 0.46 . . . . 1.0 110.621 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.41 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.776 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 107' ' ' VAL . 36.5 t -95.46 -83.22 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.252 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.52 -43.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.37 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.32 -47.34 86.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.8 -32.39 73.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 1.0 110.111 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.82 -57.9 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.687 HD13 ' O ' ' B' ' 114' ' ' ILE . 0.2 OUTLIER -67.07 -40.71 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.591 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.82 -31.58 62.82 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' B' ' 118' ' ' SER . 6.7 tp -71.37 -34.84 70.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.204 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -46.24 -20.51 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.181 0.515 . . . . 1.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' SER . . . . . 0.431 ' N ' ' C ' ' B' ' 116' ' ' LEU . 28.7 m -50.94 -22.73 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.973 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 6.1 p80 -62.86 -24.19 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.606 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 90.7 t80 45.38 -93.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.65 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.979 -1.456 . . . . 1.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.3 -27.22 14.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' C' ' 4' ' ' THR . 9.3 m120 -65.72 117.09 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.422 ' O ' ' O ' ' C' ' 3' ' ' ASN . 33.8 p 53.03 107.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.692 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -148.54 -38.78 0.17 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.98 -21.75 78.32 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -80.29 -30.41 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 1.0 110.509 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 p -72.94 -37.63 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.656 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -57.3 -49.15 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.406 HG21 HD13 ' C' ' 10' ' ' ILE . 13.1 pt -65.77 -40.87 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.393 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.51 -49.28 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.351 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.93 73.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.28 -22.8 44.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.526 ' O ' ' CH2' ' C' ' 18' ' ' TRP . . . -43.01 -34.56 2.05 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' C' ' 16' ' ' TYR . 11.7 p90 -127.99 50.74 2.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.796 0.331 . . . . 1.0 110.412 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 29.7 p -67.62 -43.57 80.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' TRP . . . . . 0.526 ' CH2' ' O ' ' C' ' 15' ' ' GLY . 17.2 p90 -55.47 -39.52 70.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.675 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.514 ' N ' ' CD1' ' C' ' 18' ' ' TRP . 82.2 tttt -66.85 -40.27 87.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.549 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 -5.99 89.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.72 -48.76 44.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 1.0 110.507 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.49 -24.99 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -27.98 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.66 89.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.645 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.465 ' HE1' ' CD ' ' C' ' 33' ' ' GLN . 8.2 t-105 -42.36 -44.43 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.774 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 23.8 pt -92.35 -22.77 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.29 42.57 1.35 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' C' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.515 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' C' ' 28' ' ' GLU . . . -73.6 5.66 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' B' ' 96' ' ' MET . . . -40.15 -36.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.389 -0.368 . . . . 1.0 111.232 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' C' ' 32' ' ' ARG . 34.0 p90 -84.61 -49.0 8.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.249 0.547 . . . . 1.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.608 ' N ' ' CG ' ' C' ' 31' ' ' PHE . 14.3 ttm180 -62.79 -23.47 67.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.89 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.465 ' CD ' ' HE1' ' C' ' 25' ' ' TRP . 10.1 tt0 -59.18 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -40.94 -26.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.41 -46.89 3.4 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.467 -0.653 . . . . 1.0 111.467 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.8 t -46.84 -33.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 122.427 -0.455 . . . . 1.0 110.147 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.75 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.497 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.605 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -35.57 -24.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.319 -178.364 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' C' ' 37' ' ' ALA . 7.3 tp -90.01 -49.59 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.6 tp -61.14 -36.87 80.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.08 63.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.386 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' C' ' 38' ' ' VAL . 23.7 t -76.54 -42.31 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.658 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -47.04 -46.48 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.025 0.44 . . . . 1.0 110.237 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.412 HG12 ' H ' ' C' ' 44' ' ' ILE . 18.8 pt -75.05 -39.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.397 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -51.91 -51.37 57.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 45.7 t -56.17 -49.14 74.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.969 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.08 -32.34 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.467 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ALA . 2.6 pp -160.81 135.27 7.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' C' ' 49' ' ' ASP . 29.8 p-10 -110.63 71.44 0.75 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.581 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' VAL . . . . . 0.433 ' O ' HG13 ' C' ' 50' ' ' VAL . 10.8 p -158.24 130.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.09 112.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.393 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.88 171.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 1.0 111.074 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' C' ' 54' ' ' THR . 2.3 pp -44.62 -37.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 1.0 111.003 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' THR . . . . . 0.424 ' C ' ' O ' ' C' ' 53' ' ' ILE . 0.9 OUTLIER -34.23 -39.81 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.763 -179.534 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.466 HH21 ' CD1' ' A' ' 57' ' ' LEU . 50.7 ttp85 -79.74 -47.89 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.823 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 53' ' ' ILE . 11.6 t -62.61 -32.34 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.456 ' CD1' HH21 ' B' ' 55' ' ' ARG . 8.7 tp -48.89 -49.77 38.21 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.976 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.52 ' O ' HG12 ' C' ' 62' ' ' VAL . 3.9 mm? -48.82 -51.86 27.21 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.88 -26.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -76.07 -55.23 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.956 0.408 . . . . 1.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.2 p -64.77 -58.42 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.132 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.52 HG12 ' O ' ' C' ' 58' ' ' LEU . 3.0 p -49.91 -36.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.697 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' C' ' 63' ' ' MET . 14.2 tmm? -68.4 -40.67 81.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.0 110.73 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.512 ' O ' HG22 ' C' ' 67' ' ' ILE . 0.2 OUTLIER -62.01 -53.46 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.36 -34.3 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.535 -0.466 . . . . 1.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' C' ' 62' ' ' VAL . 5.5 mmt -68.65 -26.97 65.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.758 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 67' ' ' ILE . . . . . 0.512 HG22 ' O ' ' C' ' 64' ' ' LEU . 3.2 tt -55.39 -36.0 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.769 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.31 -21.15 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.508 -0.477 . . . . 1.0 110.737 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' C' ' 73' ' ' SER . 26.7 mm-40 -97.11 -79.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' C' ' 73' ' ' SER . 2.2 mm -39.71 -60.3 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.593 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.9 tp -52.32 -40.05 61.39 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 119.899 -0.72 . . . . 1.0 109.366 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.5 t-20 -75.64 -10.09 59.14 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.307 0.575 . . . . 1.0 109.679 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.9 m -91.07 -51.63 5.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.449 -0.796 . . . . 1.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.593 HG23 ' O ' ' C' ' 71' ' ' LEU . 35.7 pt -48.85 -36.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 119.81 -0.756 . . . . 1.0 109.356 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 80' ' ' ASP . 53.1 mt-10 -82.97 -25.22 32.49 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.13 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.84 42.46 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.829 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.35 -31.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.848 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.67 -31.06 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.302 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 76' ' ' GLU . 9.2 m-20 -83.43 -108.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.596 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.735 ' H ' ' NH2' ' B' ' 92' ' ' ARG . 39.1 ttm-85 -104.3 6.2 35.14 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.144 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.86 -112.74 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.86 -142.98 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.46 81.08 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.33 . . . . 1.0 110.557 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.84 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.521 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.78 25.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.4 -34.53 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.33 110.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' C' ' 91' ' ' GLY . 6.9 tp -173.71 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.754 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 66.1 m -72.45 34.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.57 169.58 0.05 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.74 ' NH2' ' H ' ' A' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.24 27.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 1.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.06 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.643 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.41 73.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.39 -40.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 1.0 110.912 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.496 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 41.2 mtt -74.59 -44.51 50.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.367 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.572 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.83 -36.01 92.59 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -52.68 -28.17 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 1.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.22 -54.03 3.99 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.17 59.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.572 HG23 ' O ' ' C' ' 97' ' ' GLY . 3.6 t -66.27 -64.03 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.361 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.4 -47.26 66.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.298 0.57 . . . . 1.0 110.666 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.461 HG22 HG23 ' C' ' 107' ' ' VAL . 17.9 mm -70.77 -21.11 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -42.58 -49.87 5.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.758 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.9 -38.79 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' C' ' 103' ' ' ILE . 24.4 mm -70.29 -31.17 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.541 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 109' ' ' VAL . 81.6 t -67.33 -77.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.978 0.418 . . . . 1.0 110.624 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.46 -26.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.773 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' C' ' 107' ' ' VAL . 36.7 t -95.41 -83.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.254 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.55 -43.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.333 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -61.32 -47.33 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.371 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.0 110.14 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -65.85 -57.99 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.921 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' C' ' 114' ' ' ILE . 0.2 OUTLIER -67.06 -40.81 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.7 -31.62 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' C' ' 118' ' ' SER . 6.8 tp -71.46 -34.82 70.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.14 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.16 -20.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 110.075 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.435 ' N ' ' C ' ' C' ' 116' ' ' LEU . 29.3 m -50.87 -22.88 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.953 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 6.0 p80 -62.74 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.654 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 90.8 t80 45.36 -93.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.722 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 117.991 -1.45 . . . . 1.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -162.43 -66.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . 10.0 t-20 59.66 164.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 3' ' ' ASN . 9.1 m 59.31 120.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.7 m -161.57 -41.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 43.16 0.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -77.84 -43.79 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 1.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.67 -36.53 69.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.589 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -56.71 -40.03 74.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.432 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.25 -48.09 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.2 -48.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.983 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.77 -37.15 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.404 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.74 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -61.48 -43.01 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.299 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.89 -23.77 0.31 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.923 -0.581 . . . . 1.0 111.786 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -115.13 24.22 11.86 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.859 0.361 . . . . 1.0 110.053 -179.394 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -53.61 -27.81 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -50.28 -45.45 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.594 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -64.46 -42.47 95.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.16 -18.8 71.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.23 -47.93 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -71.74 -26.92 62.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.53 21.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.049 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.65 -55.84 8.91 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.261 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 26' ' ' ILE . 92.6 mt -72.38 -13.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.444 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 44.0 t30 -61.38 -62.04 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.632 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' ALA . 35.1 tt0 -124.97 -44.7 1.91 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' HH21 ' A' ' 32' ' ' ARG . . . -65.23 4.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.693 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -41.42 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.0 t80 -76.09 -48.99 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 ' HB2' ' A' ' 29' ' ' ALA . 88.2 mtm-85 -63.21 -33.5 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.72 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 36' ' ' VAL . 19.2 tp60 -59.44 -63.96 1.12 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 tt0 -35.8 -31.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.068 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -76.8 -43.36 18.27 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.507 -1.037 . . . . 1.0 110.507 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' GLN . 80.9 t -48.51 -45.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -12.95 60.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.003 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 34' ' ' GLU . 95.6 t -93.16 -31.66 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.682 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.01 -62.86 1.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.728 0.299 . . . . 1.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.06 -39.42 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.888 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.12 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.771 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 76.1 t -77.83 -39.57 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.741 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -47.28 -38.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 1.0 110.411 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -73.9 -43.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.68 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.443 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.37 -39.41 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.623 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -102.28 -168.24 1.51 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.376 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.14 -0.96 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -156.75 133.97 10.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.463 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.79 -178.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.327 0.584 . . . . 1.0 111.672 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 56' ' ' VAL . 2.2 pp -50.89 -38.7 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.93 . . . . 1.0 110.957 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ILE . 82.6 p -35.03 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.022 0.439 . . . . 1.0 110.633 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ILE . 45.7 ttp85 -80.55 -48.23 13.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.197 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' ILE . 4.0 t -66.14 -39.12 83.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.641 -0.709 . . . . 1.0 111.058 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.5 tt -47.62 -46.05 28.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 62' ' ' VAL . 16.0 mt -47.87 -45.81 30.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.46 HD12 HD11 ' B' ' 64' ' ' LEU . 14.4 mm -73.24 -26.47 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.201 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -69.77 -55.72 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.6 -60.43 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.197 0.523 . . . . 1.0 111.038 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.612 HG12 HD12 ' C' ' 103' ' ' ILE . 11.3 m -50.42 -33.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.05 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' A' ' 66' ' ' MET . 24.5 tpp -68.38 -47.06 68.39 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.398 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HD12 ' C' ' 59' ' ' ILE . 3.5 mp -54.19 -52.62 60.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.161 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 16.8 m -62.19 -33.18 57.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -62.57 -44.38 96.46 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.75 -46.98 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.0 t -83.88 -34.14 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 112.299 0.481 . . . . 1.0 112.299 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 mp0 -92.09 -79.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.411 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 70' ' ' ILE . 21.2 mm -41.57 -55.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.142 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.6 tp -53.75 -36.75 62.69 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 119.224 -0.99 . . . . 1.0 109.41 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 59.4 t-20 -79.44 -11.9 59.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.084 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.54 -52.25 4.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.148 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.5 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 109.952 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.8 pt -51.49 -34.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.766 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ASP . 66.7 tt0 -86.76 -26.9 23.93 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.29 -51.48 69.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.13 -32.06 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 115.143 -0.935 . . . . 1.0 109.548 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.67 -24.53 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.115 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.8 t0 -82.53 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.661 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ILE . 13.5 ptm180 -106.0 -35.3 7.32 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.824 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.5 tt 36.05 98.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.164 0.506 . . . . 1.0 111.348 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -79.84 -33.32 33.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 83' ' ' GLY . 6.4 m 58.31 119.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 1.0 110.68 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -44.72 153.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.74 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.77 -27.92 28.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.62 -62.44 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.859 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.04 101.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.231 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' GLY . 6.7 tp -155.77 -21.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.76 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -64.91 59.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.555 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 60.72 164.7 0.21 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.55 -19.52 33.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.19 0.519 . . . . 1.0 109.825 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.31 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' GLY . 54.2 tttp -66.91 -35.22 79.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.228 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 30.7 m-20 -41.12 -35.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.979 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.85 -43.22 59.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.212 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.26 -37.01 93.49 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.16 -27.18 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 1.0 110.58 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.9 -53.63 3.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -57.59 -22.75 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.671 -0.695 . . . . 1.0 111.539 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.7 p -74.07 -60.12 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.682 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.4 tp -56.21 -49.27 74.57 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.398 0.618 . . . . 1.0 110.914 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 HG12 ' B' ' 62' ' ' VAL . 3.9 pt -69.2 -18.79 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.309 -0.556 . . . . 1.0 110.442 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.0 -49.0 4.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.059 0.457 . . . . 1.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 106' ' ' ILE . 2.3 tt -67.04 -43.33 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.357 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 105' ' ' ILE . 1.7 mp -67.25 -35.38 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.44 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 109' ' ' VAL . 66.1 t -79.32 -74.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.203 -0.199 . . . . 1.0 110.992 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -35.0 -29.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.958 0.409 . . . . 1.0 111.217 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 107' ' ' VAL . 87.7 t -87.38 -81.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.421 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.0 mm -45.85 -24.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.878 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 62.6 m -59.34 -50.94 72.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.933 0.397 . . . . 1.0 110.159 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.61 -24.34 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.504 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.56 -59.33 5.62 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.819 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.41 -40.4 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.31 73.19 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.77 -43.68 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.432 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.88 -32.32 44.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.127 0.489 . . . . 1.0 110.18 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 m -49.71 -33.8 17.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.73 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -156.2 141.61 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.781 0 CA-C-O 118.035 -1.425 . . . . 1.0 110.919 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -162.45 -66.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.534 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' THR . 10.0 t-20 59.61 163.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.414 ' O ' ' O ' ' B' ' 3' ' ' ASN . 9.0 m 59.37 120.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.512 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.0 m -161.57 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.44 43.16 0.15 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.004 -0.839 . . . . 1.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -77.85 -43.82 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.405 HG22 ' H ' ' B' ' 8' ' ' THR . 0.2 OUTLIER -56.66 -36.57 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.554 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.72 -39.93 74.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.2 -48.16 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.44 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mt -62.19 -48.59 87.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.073 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.79 -37.12 85.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.421 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -32.71 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -61.56 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.278 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.93 -23.85 0.31 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.71 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -115.05 24.31 11.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.906 0.384 . . . . 1.0 110.097 -179.442 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -53.32 -28.62 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.512 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -49.88 -45.4 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.601 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -64.48 -42.36 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -18.82 71.76 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.72 -38.94 79.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.506 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -63.84 -48.11 78.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.479 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -71.72 -26.94 62.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.63 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.87 -32.55 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.063 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.61 -55.97 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.444 HG22 ' O ' ' B' ' 26' ' ' ILE . 92.8 mt -72.26 -13.88 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 23' ' ' ALA . 44.2 t30 -61.25 -62.06 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.663 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' B' ' 30' ' ' ALA . 35.2 tt0 -124.97 -44.63 1.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.987 0.422 . . . . 1.0 110.469 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.701 ' HB2' HH21 ' B' ' 32' ' ' ARG . . . -65.37 4.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -41.35 -23.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' B' ' 29' ' ' ALA . 23.0 t80 -76.02 -48.89 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.248 0.547 . . . . 1.0 109.734 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' B' ' 29' ' ' ALA . 88.3 mtm-85 -63.31 -33.54 75.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.6 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' B' ' 36' ' ' VAL . 19.4 tp60 -59.46 -63.92 1.13 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.569 -0.9 . . . . 1.0 108.569 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 38' ' ' VAL . 78.5 tt0 -35.83 -31.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.128 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -76.95 -43.29 17.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.467 -1.053 . . . . 1.0 110.467 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.564 ' N ' ' O ' ' B' ' 33' ' ' GLN . 81.1 t -48.51 -45.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.57 -13.02 60.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.034 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 34' ' ' GLU . 96.1 t -93.15 -31.63 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.68 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.01 -62.85 1.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.73 0.3 . . . . 1.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.0 -39.5 41.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.869 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.21 74.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.743 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 38' ' ' VAL . 76.0 t -77.7 -39.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.688 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -47.23 -38.17 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 1.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.95 -43.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.68 72.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.3 m -60.69 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -43.33 -39.31 3.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.73 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.26 -168.21 1.5 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.421 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.13 -1.02 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.416 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 p -158.49 140.29 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -156.86 133.89 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.445 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.77 -178.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.298 0.571 . . . . 1.0 111.715 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.2 pp -50.9 -38.68 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.996 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 53' ' ' ILE . 82.7 p -34.95 -33.24 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.059 0.457 . . . . 1.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 53' ' ' ILE . 45.7 ttp85 -80.58 -48.31 12.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.131 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 53' ' ' ILE . 4.0 t -66.06 -39.24 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.054 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.5 tt -47.56 -46.12 27.67 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.535 ' O ' HG13 ' B' ' 62' ' ' VAL . 15.9 mt -47.77 -45.86 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.518 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.479 HD12 HD11 ' C' ' 64' ' ' LEU . 14.4 mm -73.19 -26.49 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.251 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.8 -55.75 8.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -60.67 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.155 0.503 . . . . 1.0 110.972 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 103' ' ' ILE . 11.4 m -50.46 -33.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.072 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' B' ' 66' ' ' MET . 24.7 tpp -68.24 -47.2 68.42 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.433 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 59' ' ' ILE . 3.4 mp -54.14 -52.49 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.196 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' B' ' 69' ' ' GLU . 16.6 m -62.37 -33.05 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' B' ' 63' ' ' MET . 0.0 OUTLIER -62.65 -44.38 96.41 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.708 -0.478 . . . . 1.0 109.708 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.3 mt -50.71 -47.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.862 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.72 -34.23 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' B' ' 69' ' ' GLU . 1.1 mp0 -92.06 -79.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.42 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.94 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.142 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.6 tp -53.78 -36.66 62.65 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 119.18 -1.008 . . . . 1.0 109.408 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 72' ' ' ASN . 59.3 t-20 -79.42 -11.88 59.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.118 0.485 . . . . 1.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.56 -52.22 5.01 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.106 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.59 73.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.908 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' LEU . 34.6 pt -51.41 -35.04 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.784 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 66.8 tt0 -86.73 -26.97 23.94 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.53 68.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.1 -32.1 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.526 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.7 -24.41 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.127 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.0 t0 -82.65 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.633 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 82' ' ' ILE . 13.5 ptm180 -105.99 -35.3 7.32 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.5 tt 36.01 98.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.276 0.56 . . . . 1.0 111.331 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -79.8 -33.26 34.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.609 -0.996 . . . . 1.0 110.609 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 83' ' ' GLY . 6.3 m 58.3 119.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.78 153.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.741 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -83.82 -27.86 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.755 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.68 -62.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.0 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 91' ' ' GLY . 6.8 tp -155.83 -21.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.659 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 54.1 m -65.0 59.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.932 0.396 . . . . 1.0 111.543 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 60.72 164.69 0.21 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.52 -19.58 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.095 0.474 . . . . 1.0 109.773 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -50.29 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.558 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' B' ' 97' ' ' GLY . 54.1 tttp -66.8 -35.41 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 1.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 30.9 m-20 -41.04 -35.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.921 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.404 ' HG2' HD11 ' C' ' 70' ' ' ILE . 29.2 mtm -73.81 -43.22 59.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.238 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.489 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.21 -37.04 93.57 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -51.22 -27.15 8.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 1.0 110.583 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.92 -53.55 3.64 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -57.63 -22.81 47.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.446 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.699 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.6 p -74.03 -60.16 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.235 0.457 . . . . 1.0 112.235 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.699 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -55.98 -49.44 73.57 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.36 0.6 . . . . 1.0 110.944 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.613 HD12 HG12 ' C' ' 62' ' ' VAL . 3.9 pt -69.21 -18.71 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.474 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.03 -48.97 4.71 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.094 0.473 . . . . 1.0 110.359 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.475 HG23 HD12 ' B' ' 106' ' ' ILE . 2.3 tt -67.06 -43.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.326 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.475 HD12 HG23 ' B' ' 105' ' ' ILE . 1.7 mp -67.18 -35.43 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.412 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 109' ' ' VAL . 66.7 t -79.33 -73.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 121.19 -0.204 . . . . 1.0 111.016 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -35.01 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.949 0.404 . . . . 1.0 111.253 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 107' ' ' VAL . 87.1 t -87.41 -81.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.4 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.84 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.914 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 62.5 m -59.41 -50.82 72.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.914 0.388 . . . . 1.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.76 -24.17 55.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.55 -59.44 5.44 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.715 -0.394 . . . . 1.0 110.825 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.29 -40.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.538 ' O ' HD23 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -56.53 -39.36 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.69 -43.76 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.411 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -52.92 -32.24 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.987 0.423 . . . . 1.0 110.13 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 36.9 m -49.68 -33.88 16.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.223 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -46.68 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -156.23 141.62 17.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.414 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 CA-C-O 117.975 -1.459 . . . . 1.0 110.936 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -162.42 -66.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' C' ' 4' ' ' THR . 10.0 t-20 59.66 164.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.422 ' O ' ' O ' ' C' ' 3' ' ' ASN . 9.0 m 59.27 120.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.58 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.2 m -161.64 -41.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.55 43.11 0.15 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.984 -0.847 . . . . 1.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.83 -43.73 29.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.327 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.408 ' H ' HG22 ' C' ' 8' ' ' THR . 0.2 OUTLIER -56.71 -36.49 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.612 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.71 -40.05 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.411 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.22 -48.22 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.401 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.19 -48.46 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.102 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.89 -37.08 85.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.389 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.71 72.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -61.45 -43.04 99.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 -23.83 0.3 Allowed Glycine 0 CA--C 1.526 0.737 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.737 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' C' ' 14' ' ' ALA . 0.2 OUTLIER -115.05 24.21 11.89 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.853 0.359 . . . . 1.0 110.14 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 68.5 p -53.56 -27.86 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -50.27 -45.49 54.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -64.38 -42.35 96.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.32 -18.86 71.86 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.78 -38.97 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 1.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -63.84 -48.13 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.462 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -71.59 -27.08 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.87 -32.56 20.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.055 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.67 -55.78 9.07 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.263 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.438 ' O ' HG22 ' C' ' 26' ' ' ILE . 92.8 mt -72.4 -13.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.39 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' C' ' 23' ' ' ALA . 44.2 t30 -61.2 -62.05 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' C' ' 30' ' ' ALA . 35.1 tt0 -125.07 -44.62 1.9 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.394 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.677 ' HB2' HH21 ' C' ' 32' ' ' ARG . . . -65.35 4.26 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.587 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -41.38 -23.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' C' ' 29' ' ' ALA . 22.8 t80 -75.99 -48.99 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.204 0.526 . . . . 1.0 109.715 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.677 HH21 ' HB2' ' C' ' 29' ' ' ALA . 88.1 mtm-85 -63.19 -33.59 75.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.628 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' C' ' 36' ' ' VAL . 19.4 tp60 -59.42 -64.03 1.09 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' C' ' 38' ' ' VAL . 78.5 tt0 -35.78 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.303 -0.862 . . . . 1.0 111.109 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -76.88 -43.31 18.0 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.501 -1.04 . . . . 1.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.56 ' N ' ' O ' ' C' ' 33' ' ' GLN . 81.7 t -48.48 -45.58 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.768 -0.456 . . . . 1.0 109.768 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.9 60.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.039 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' C' ' 34' ' ' GLU . 95.8 t -93.2 -31.61 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.05 -62.8 1.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.723 0.297 . . . . 1.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -49.88 -39.65 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.921 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.24 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 38' ' ' VAL . 76.3 t -77.79 -39.69 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -47.22 -38.15 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 1.0 110.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.03 -43.26 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.545 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.664 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.69 -51.93 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.35 -39.27 3.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.684 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -102.38 -168.17 1.5 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.391 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.19 -0.97 2.67 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.404 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.25 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -156.8 133.88 10.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.385 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.76 -178.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.375 0.607 . . . . 1.0 111.671 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' C' ' 56' ' ' VAL . 2.2 pp -50.82 -38.82 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.951 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' C' ' 53' ' ' ILE . 82.8 p -34.96 -33.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.995 0.426 . . . . 1.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' C' ' 53' ' ' ILE . 45.5 ttp85 -80.51 -48.3 12.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.198 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' C' ' 53' ' ' ILE . 4.0 t -66.09 -39.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 1.0 111.092 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.5 tt -47.55 -46.14 27.57 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' C' ' 62' ' ' VAL . 15.9 mt -47.79 -45.79 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.527 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 64' ' ' LEU . 14.4 mm -73.3 -26.46 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.217 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.76 -55.78 8.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.64 -60.35 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.172 0.51 . . . . 1.0 111.038 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.613 HG12 HD12 ' B' ' 103' ' ' ILE . 11.3 m -50.48 -32.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.045 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.544 ' CE ' ' SD ' ' C' ' 66' ' ' MET . 24.3 tpp -68.43 -47.02 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.368 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.479 HD11 HD12 ' B' ' 59' ' ' ILE . 3.4 mp -54.29 -52.49 61.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.159 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' C' ' 69' ' ' GLU . 16.8 m -62.28 -33.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.59 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.544 ' SD ' ' CE ' ' C' ' 63' ' ' MET . 0.0 OUTLIER -62.6 -44.4 96.39 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -50.74 -47.08 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.803 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.74 -34.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 N-CA-C 112.433 0.531 . . . . 1.0 112.433 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' C' ' 69' ' ' GLU . 1.2 mp0 -92.11 -79.42 0.38 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.42 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' C' ' 70' ' ' ILE . 21.3 mm -41.65 -55.85 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.597 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.6 tp -53.81 -36.73 62.8 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 119.199 -1.001 . . . . 1.0 109.378 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' C' ' 72' ' ' ASN . 59.2 t-20 -79.34 -11.92 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.151 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.5 m -90.58 -52.16 5.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.187 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.51 73.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.153 0.501 . . . . 1.0 109.941 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.597 HG23 ' O ' ' C' ' 71' ' ' LEU . 34.6 pt -51.34 -35.11 15.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.778 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 66.7 tt0 -86.69 -26.96 24.02 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 120.619 0.247 . . . . 1.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.51 69.1 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.045 -0.724 . . . . 1.0 109.045 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -54.11 -32.07 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.521 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.67 -24.5 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 60.9 t0 -82.61 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.621 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 82' ' ' ILE . 13.5 ptm180 -106.01 -35.33 7.3 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.5 tt 36.06 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.218 0.532 . . . . 1.0 111.367 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -79.81 -33.23 34.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' C' ' 83' ' ' GLY . 6.3 m 58.36 119.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 1.0 110.712 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.72 153.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.726 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.73 -28.01 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.753 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.58 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.99 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' C' ' 91' ' ' GLY . 6.7 tp -155.78 -21.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.723 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -64.98 59.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 60.57 164.67 0.2 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.43 -19.64 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 1.0 109.789 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.64 -50.36 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.582 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' C' ' 97' ' ' GLY . 54.2 tttp -66.93 -35.28 79.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.196 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 30.8 m-20 -40.95 -35.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.961 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 70' ' ' ILE . 29.3 mtm -73.81 -43.25 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.407 . . . . 1.0 110.159 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.484 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.15 -37.02 93.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.3 -27.12 8.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.83 -53.65 3.62 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -57.59 -22.78 47.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.685 . . . . 1.0 111.471 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.5 p -74.07 -60.24 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.138 0.422 . . . . 1.0 112.138 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.4 tp -55.99 -49.42 73.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.356 0.598 . . . . 1.0 110.911 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.612 HD12 HG12 ' A' ' 62' ' ' VAL . 3.9 pt -69.14 -18.79 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.99 -49.02 4.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.068 0.461 . . . . 1.0 110.313 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.466 HG23 HD12 ' C' ' 106' ' ' ILE . 2.3 tt -66.97 -43.32 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.422 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.466 HD12 HG23 ' C' ' 105' ' ' ILE . 1.7 mp -67.31 -35.43 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 120.106 -0.637 . . . . 1.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 109' ' ' VAL . 65.9 t -79.29 -73.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.25 -0.18 . . . . 1.0 110.997 -179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -35.02 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.955 0.407 . . . . 1.0 111.235 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' C' ' 107' ' ' VAL . 88.4 t -87.34 -81.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.477 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 44.8 mm -45.83 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.944 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 61.9 m -59.31 -51.01 71.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.087 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.68 -24.24 55.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.503 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.51 -59.38 5.54 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.885 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.32 -40.52 86.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.556 ' O ' HD23 ' C' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.28 73.13 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.8 -43.59 65.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.426 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -52.99 -32.35 45.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 1.0 110.064 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 34.4 m -49.71 -33.78 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.25 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -46.7 85.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.551 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -156.18 141.66 17.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.975 -1.458 . . . . 1.0 110.972 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.13 45.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.527 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -56.84 -10.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.524 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -175.75 157.61 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -162.87 -43.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.4 4.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -55.54 -45.15 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 1.0 110.528 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -58.98 -38.4 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 68.9 ttt180 -62.83 -44.03 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.17 -50.38 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.507 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.87 -48.42 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.138 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -65.69 -35.86 81.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.437 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.43 -41.38 97.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.566 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -79.03 -41.32 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.608 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' SER . . . 69.07 -12.2 1.2 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' A' ' 14' ' ' ALA . 47.5 m-85 42.07 18.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.687 0.28 . . . . 1.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' GLY . 60.1 p -79.63 -42.39 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.549 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -59.28 -37.33 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.25 -36.74 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.55 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.3 mm? -77.35 -28.93 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 1.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 26.1 mmt180 -58.96 -46.83 87.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.516 ' O ' ' CE3' ' A' ' 25' ' ' TRP . . . -53.02 -41.3 64.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.454 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.31 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CE3' ' O ' ' A' ' 23' ' ' ALA . 5.2 m-90 55.44 41.94 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 2.0 pp -56.78 -12.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.373 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.25 -64.03 1.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.576 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 30' ' ' ALA . 40.9 tt0 -100.6 -52.62 3.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.012 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 1.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.113 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 26' ' ' ILE . . . -35.39 -38.07 0.09 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.819 0.342 . . . . 1.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 53.2 p90 -91.02 -39.62 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.79 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.994 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 36' ' ' VAL . 44.6 tt0 -59.58 -61.0 2.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.922 -0.77 . . . . 1.0 108.922 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.5 mt-10 -37.69 -33.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.675 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -78.35 -43.56 12.67 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.178 -1.169 . . . . 1.0 110.178 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' GLN . 68.7 t -48.36 -47.01 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.55 -11.75 54.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.841 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 34' ' ' GLU . 89.1 t -93.9 -32.83 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.315 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.45 -62.85 1.37 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.952 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.2 tt -50.82 -37.84 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.281 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.96 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.239 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 71.6 t -87.19 -47.7 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.664 0.269 . . . . 1.0 111.417 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.66 -47.81 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.089 0.471 . . . . 1.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -61.08 -45.52 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.099 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -54.57 -29.12 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.9 m -69.1 -42.24 76.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.002 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.52 -53.59 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.364 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.0 mp -87.1 174.6 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.289 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.56 -150.7 0.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -152.94 173.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.62 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 1.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.05 151.34 0.66 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 pt -135.96 27.03 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 p -60.72 -46.56 89.94 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.308 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.92 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.8 t -60.98 -29.16 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.619 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 tp -49.04 -39.37 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.48 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.234 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 HG12 ' C' ' 107' ' ' VAL . 96.6 mt -77.2 -57.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.799 . . . . 1.0 109.334 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -33.53 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 77.5 p -64.47 -62.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.5 . . . . 1.0 109.83 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.5 t -62.79 -27.29 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.818 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ttp -57.32 -38.39 73.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -53.95 -34.68 60.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -53.66 -30.92 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.996 179.26 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' GLU . 45.8 mtt -56.08 -49.95 72.36 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.462 ' H ' HG23 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -47.03 -24.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.618 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -27.52 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.13 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 66' ' ' MET . 54.7 mt-10 -97.91 -61.72 1.35 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.921 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' SER . 54.3 mt -55.1 -61.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.79 -36.48 37.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.106 -0.637 . . . . 1.0 109.401 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -75.83 -12.44 60.17 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -84.66 -51.63 6.69 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.42 77.05 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.656 -0.868 . . . . 1.0 108.656 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.4 -20.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.814 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ASP . 71.1 tt0 -96.48 -32.25 12.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.901 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -60.16 -52.47 65.2 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.047 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 82' ' ' ILE . 8.1 p -56.02 -37.94 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.834 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' N ' HG13 ' A' ' 78' ' ' VAL . 89.8 t -80.71 -25.68 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' GLU . 34.9 t0 -83.36 -109.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.528 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -104.84 -55.12 2.38 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER 71.59 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 116.219 -0.446 . . . . 1.0 109.889 -179.013 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.54 -108.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 1.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.588 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.68 -51.86 7.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.589 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' LEU . 95.0 m-70 -79.75 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.655 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' A' ' 95' ' ' ASP . 28.6 mm-40 -55.19 90.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.262 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -142.69 -21.12 0.66 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.071 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -67.73 55.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 66.83 160.76 1.05 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.9 -23.68 41.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.168 0.508 . . . . 1.0 109.651 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . -63.49 -51.3 66.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.47 -34.93 74.74 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.937 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.416 ' OD2' ' OE1' ' A' ' 88' ' ' GLU . 13.5 t0 -44.74 -40.06 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.35 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.86 -44.74 61.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.202 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.616 ' O ' HG22 ' A' ' 101' ' ' VAL . . . -64.67 -35.21 91.65 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.479 -1.049 . . . . 1.0 110.479 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -48.72 -30.49 5.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.695 0.283 . . . . 1.0 111.191 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -49.76 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -57.18 -25.6 59.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.608 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 97' ' ' GLY . 19.2 m -70.25 -55.74 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.119 -0.633 . . . . 1.0 110.05 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 101' ' ' VAL . 4.1 mp -57.78 -49.78 75.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.963 -0.695 . . . . 1.0 109.615 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 107' ' ' VAL . 4.0 mp -73.89 -25.88 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.702 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -47.42 -43.34 23.7 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.263 -0.575 . . . . 1.0 109.723 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.16 -38.79 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 110' ' ' ILE . 76.1 mt -72.82 -64.88 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.46 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.908 HG23 ' H ' ' A' ' 108' ' ' ALA . 16.6 m -47.87 -67.15 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.506 -0.478 . . . . 1.0 110.737 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -34.45 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.004 0.431 . . . . 1.0 111.173 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 107' ' ' VAL . 95.7 t -93.23 -80.13 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.585 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.55 HD12 ' CG2' ' A' ' 106' ' ' ILE . 72.5 mt -46.26 -35.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.08 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 22.0 m -58.38 -52.69 64.56 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.611 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -67.51 -29.56 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.184 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.49 -59.1 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.324 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.28 -39.28 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.812 0.339 . . . . 1.0 110.233 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.49 -42.22 77.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.028 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.96 -45.3 78.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -56.42 -21.08 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.961 0.41 . . . . 1.0 110.119 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.65 -27.07 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.278 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.44 -47.02 85.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.853 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -92.39 114.04 26.47 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.913 0.387 . . . . 1.0 110.57 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 CA-C-O 117.953 -1.471 . . . . 1.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.16 45.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -56.79 -10.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -175.9 157.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m -162.73 -43.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.555 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.42 4.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -55.65 -45.09 77.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 1.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 54.7 p -58.95 -38.42 78.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 69.0 ttt180 -62.86 -43.98 97.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.513 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.33 -50.26 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.469 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.83 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.092 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.73 -35.94 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.343 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -79.13 -41.29 28.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.597 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 17' ' ' SER . . . 69.14 -12.51 1.17 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.074 -0.811 . . . . 1.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' B' ' 14' ' ' ALA . 47.1 m-85 42.82 17.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 1.0 110.986 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 15' ' ' GLY . 60.4 p -77.57 -42.94 33.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.733 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -59.04 -37.37 76.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.744 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.31 -36.68 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.5 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.31 -40.11 98.6 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.592 HD22 ' N ' ' B' ' 21' ' ' LEU . 3.3 mm? -77.28 -28.99 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 1.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' B' ' 25' ' ' TRP . 26.1 mmt180 -58.91 -47.05 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.455 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.51 ' O ' ' CE3' ' B' ' 25' ' ' TRP . . . -52.86 -41.3 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.483 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.33 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.537 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' O ' ' B' ' 23' ' ' ALA . 5.2 m-90 55.42 41.95 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 2.0 pp -56.82 -12.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.34 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.27 -64.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.596 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 30' ' ' ALA . 41.0 tt0 -100.5 -52.7 3.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -60.28 1.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.112 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' B' ' 26' ' ' ILE . . . -35.34 -38.14 0.09 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.892 0.377 . . . . 1.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 53.2 p90 -91.05 -39.63 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.811 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.77 78.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.028 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' B' ' 36' ' ' VAL . 44.5 tt0 -59.46 -61.11 2.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' O ' HG23 ' B' ' 38' ' ' VAL . 79.7 mt-10 -37.7 -33.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.693 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -78.41 -43.57 12.47 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' B' ' 33' ' ' GLN . 68.7 t -48.26 -47.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.8 54.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.821 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 34' ' ' GLU . 88.1 t -93.84 -32.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.38 -63.01 1.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 44' ' ' ILE . 6.2 tt -50.56 -38.06 42.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.289 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.246 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 38' ' ' VAL . 70.2 t -87.28 -47.74 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.621 -0.263 . . . . 1.0 111.308 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.59 -47.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 1.0 110.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.565 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -60.98 -45.63 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.155 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.565 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -54.39 -29.24 48.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.516 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 23.0 m -69.08 -42.24 76.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 109.991 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.51 -53.57 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -87.1 174.67 8.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.331 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -90.61 -150.78 0.23 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 20.1 m -152.84 173.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.28 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -170.57 -157.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.377 . . . . 1.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.37 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.97 26.93 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.075 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.403 ' O ' ' N ' ' B' ' 57' ' ' LEU . 33.5 p -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.277 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.87 14.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.557 -0.535 . . . . 1.0 109.557 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.42 HG23 ' H ' ' B' ' 56' ' ' VAL . 3.8 t -61.05 -29.08 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.657 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 54' ' ' THR . 46.3 tp -49.02 -39.43 27.01 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.559 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.46 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.001 -0.741 . . . . 1.0 109.001 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.431 HD13 HG12 ' A' ' 107' ' ' VAL . 96.6 mt -77.16 -57.56 5.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.337 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -46.03 -33.53 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.35 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 77.3 p -64.41 -62.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 1.0 109.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 65' ' ' VAL . 16.2 t -62.75 -27.36 42.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.752 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.1 ttp -57.37 -38.4 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.81 -34.78 60.22 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.053 -0.721 . . . . 1.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.542 HG12 ' O ' ' B' ' 62' ' ' VAL . 0.3 OUTLIER -53.7 -30.87 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.048 179.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.527 ' O ' ' N ' ' B' ' 69' ' ' GLU . 45.7 mtt -56.01 -50.02 72.04 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.228 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -24.3 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 119.869 -0.732 . . . . 1.0 109.578 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 4.1 t -88.93 -27.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.1 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' MET . 54.7 mt-10 -97.85 -61.93 1.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.856 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 73' ' ' SER . 53.5 mt -54.74 -61.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -36.42 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.165 -0.614 . . . . 1.0 109.462 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.89 -12.42 60.15 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.2 m -84.81 -51.51 6.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.53 76.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mm -57.32 -20.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.699 -1.137 . . . . 1.0 109.852 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 80' ' ' ASP . 71.3 tt0 -96.58 -32.2 12.37 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.81 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -60.15 -52.48 65.14 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.048 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' B' ' 82' ' ' ILE . 8.1 p -56.07 -37.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.909 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' B' ' 78' ' ' VAL . 89.8 t -80.83 -25.62 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.48 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' B' ' 76' ' ' GLU . 35.0 t0 -83.33 -109.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.528 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.83 -55.18 2.37 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.847 0.314 . . . . 1.0 111.847 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' B' ' 78' ' ' VAL . 0.2 OUTLIER 71.51 139.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.927 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.48 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 1.0 110.633 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -81.69 -51.81 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 95.0 m-70 -79.81 -62.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.652 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.417 ' OE1' ' OD2' ' B' ' 95' ' ' ASP . 28.7 mm-40 -55.22 90.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.534 ' O ' HD23 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -142.66 -21.2 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.095 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 78.9 p -67.69 55.36 0.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 1.0 111.265 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 66.74 160.78 1.03 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.85 -23.77 41.75 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ALA . . . . . 0.409 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -63.38 -51.35 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.608 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.46 -34.96 74.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.848 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD2' ' OE1' ' B' ' 88' ' ' GLU . 13.5 t0 -44.61 -40.19 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.395 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.81 -44.74 61.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.573 -0.451 . . . . 1.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 101' ' ' VAL . . . -64.68 -35.17 91.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.529 -1.028 . . . . 1.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.76 -30.5 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 1.0 111.204 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 -49.68 5.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -57.17 -25.7 59.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.579 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 97' ' ' GLY . 19.2 m -70.16 -55.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.599 ' N ' HG23 ' B' ' 101' ' ' VAL . 4.1 mp -57.73 -49.81 75.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.995 -0.682 . . . . 1.0 109.664 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' B' ' 107' ' ' VAL . 4.0 mp -73.92 -25.75 20.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.787 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -47.45 -43.36 23.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.273 -0.571 . . . . 1.0 109.664 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.16 -38.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.552 ' CG2' HD12 ' B' ' 110' ' ' ILE . 75.3 mt -72.68 -65.0 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.531 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.915 HG23 ' H ' ' B' ' 108' ' ' ALA . 16.6 m -47.87 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.75 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.915 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -34.5 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.039 0.447 . . . . 1.0 111.234 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 107' ' ' VAL . 97.4 t -93.14 -80.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.669 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' B' ' 106' ' ' ILE . 72.4 mt -46.23 -35.82 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.039 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 22.1 m -58.38 -52.65 64.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.629 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.53 -29.66 69.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.149 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.43 -58.99 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.356 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.34 -39.22 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.828 0.347 . . . . 1.0 110.28 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.54 -42.23 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 1.0 109.985 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.9 -45.31 78.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -56.46 -21.1 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 1.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.68 -26.97 68.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.327 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.51 -47.01 85.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.855 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.38 113.99 26.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.871 0.367 . . . . 1.0 110.562 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 117.985 -1.453 . . . . 1.0 110.941 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.12 45.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.543 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -56.86 -10.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -175.82 157.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.4 m -162.78 -43.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.508 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' C' ' 7' ' ' PHE . . . 179.47 4.8 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.405 ' H ' ' H ' ' C' ' 6' ' ' GLY . 69.9 m-85 -55.51 -45.15 77.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 1.0 110.625 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 55.0 p -58.93 -38.31 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 69.0 ttt180 -62.87 -44.06 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.28 -50.24 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.86 -48.57 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.052 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -65.65 -35.98 82.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.339 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.45 -41.28 96.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.587 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.497 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -79.08 -41.2 29.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.675 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' C' ' 17' ' ' SER . . . 69.03 -12.2 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' C' ' 14' ' ' ALA . 47.7 m-85 42.13 18.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.309 . . . . 1.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.529 ' N ' ' O ' ' C' ' 15' ' ' GLY . 60.0 p -79.54 -42.42 25.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.535 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -59.31 -37.34 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.18 -36.8 63.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.37 -40.01 98.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.58 HD22 ' N ' ' C' ' 21' ' ' LEU . 3.3 mm? -77.3 -28.89 53.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 1.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.437 ' O ' ' CD1' ' C' ' 25' ' ' TRP . 26.1 mmt180 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.486 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CE3' ' C' ' 25' ' ' TRP . . . -52.92 -41.32 64.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.4 69.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.514 ' CE3' ' O ' ' C' ' 23' ' ' ALA . 5.2 m-90 55.46 42.0 30.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 2.0 pp -56.88 -12.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.382 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.18 -64.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' C' ' 30' ' ' ALA . 40.9 tt0 -100.44 -52.73 3.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.081 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 1.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.143 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' C' ' 26' ' ' ILE . . . -35.36 -38.22 0.1 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.93 0.395 . . . . 1.0 111.451 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 53.3 p90 -90.98 -39.65 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 15.7 tpt180 -61.11 -36.2 79.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.983 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' C' ' 36' ' ' VAL . 44.4 tt0 -59.17 -61.0 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.532 ' O ' HG23 ' C' ' 38' ' ' VAL . 79.6 mt-10 -37.75 -33.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.692 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -78.44 -43.62 12.31 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.176 -1.17 . . . . 1.0 110.176 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' C' ' 33' ' ' GLN . 58.9 t -48.24 -47.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.416 -0.514 . . . . 1.0 109.665 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -11.78 54.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.532 HG23 ' O ' ' C' ' 34' ' ' GLU . 85.9 t -93.76 -33.0 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.37 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.38 -62.86 1.37 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.458 ' O ' HG22 ' C' ' 44' ' ' ILE . 6.2 tt -50.66 -37.99 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.784 0.326 . . . . 1.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.95 67.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 38' ' ' VAL . 71.9 t -87.17 -47.71 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.591 0.234 . . . . 1.0 111.412 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.72 -47.75 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 1.0 110.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.562 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -61.02 -45.6 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.562 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -54.54 -29.06 49.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.567 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 22.7 m -69.1 -42.33 76.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.011 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.44 -53.48 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.483 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.587 HD12 ' N ' ' C' ' 48' ' ' LEU . 8.0 mp -87.19 174.6 8.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.328 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -90.56 -150.75 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -152.91 173.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.48 -157.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.08 151.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.88 27.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 33.8 p -60.78 -46.65 89.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -48.2 -36.89 14.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.41 ' H ' HG23 ' C' ' 56' ' ' VAL . 3.8 t -60.99 -29.15 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.617 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 tp -49.02 -39.31 26.51 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.562 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.9 OUTLIER -59.83 -37.38 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.974 -0.75 . . . . 1.0 108.974 179.281 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.413 HD13 HG12 ' B' ' 107' ' ' VAL . 96.5 mt -77.14 -57.61 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.386 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 13.9 t -46.12 -33.42 3.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.306 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 77.8 p -64.49 -62.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.522 . . . . 1.0 109.775 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.538 ' O ' HG12 ' C' ' 65' ' ' VAL . 16.3 t -62.69 -27.4 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.779 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 25.8 ttp -57.28 -38.49 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.77 -34.8 60.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.092 -0.707 . . . . 1.0 109.092 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.538 HG12 ' O ' ' C' ' 62' ' ' VAL . 0.3 OUTLIER -53.62 -30.93 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.987 179.255 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.519 ' O ' ' N ' ' C' ' 69' ' ' GLU . 45.5 mtt -56.09 -50.01 72.22 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.217 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -24.22 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.617 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' C' ' 66' ' ' MET . 4.1 t -89.02 -27.37 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.116 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' C' ' 66' ' ' MET . 54.7 mt-10 -97.95 -61.69 1.35 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.89 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' C' ' 73' ' ' SER . 54.8 mt -55.14 -61.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -36.5 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.084 -0.646 . . . . 1.0 109.432 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.78 -12.48 60.19 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.499 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.2 m -84.69 -51.65 6.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.793 -0.817 . . . . 1.0 108.793 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.4 77.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.45 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.622 -1.172 . . . . 1.0 109.777 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 80' ' ' ASP . 71.3 tt0 -96.6 -32.29 12.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.83 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -60.04 -52.53 64.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.073 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' C' ' 82' ' ' ILE . 8.0 p -56.02 -37.93 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.816 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' C' ' 78' ' ' VAL . 90.3 t -80.77 -25.59 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.488 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' C' ' 76' ' ' GLU . 35.1 t0 -83.37 -109.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.494 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.79 -55.11 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' C' ' 78' ' ' VAL . 0.2 OUTLIER 71.54 139.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.845 -179.011 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.52 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.38 105.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 1.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.2 90.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.81 -51.71 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' C' ' 89' ' ' LEU . 94.9 m-70 -79.88 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' OD2' ' C' ' 95' ' ' ASP . 28.5 mm-40 -55.24 90.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.3 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.531 ' O ' HD23 ' C' ' 89' ' ' LEU . 0.8 OUTLIER -142.61 -21.26 0.67 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.04 -179.467 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -67.69 55.4 0.06 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 66.75 160.78 1.04 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.87 -23.68 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 1.0 109.711 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' ALA . . . . . 0.41 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -63.37 -51.4 66.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.654 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.42 -34.98 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' ASP . . . . . 0.41 ' OD2' ' OE1' ' C' ' 88' ' ' GLU . 13.6 t0 -44.63 -40.13 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.407 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 44.4 mtt -72.77 -44.79 61.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.225 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.615 ' O ' HG22 ' C' ' 101' ' ' VAL . . . -64.7 -35.19 91.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.69 -30.5 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.279 . . . . 1.0 111.214 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.75 -49.74 5.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.743 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -57.13 -25.63 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.554 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.615 HG22 ' O ' ' C' ' 97' ' ' GLY . 19.2 m -70.25 -55.78 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.061 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.586 ' N ' HG23 ' C' ' 101' ' ' VAL . 4.1 mp -57.64 -49.85 75.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.636 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.486 ' CG2' HG13 ' C' ' 107' ' ' VAL . 4.0 mp -73.82 -26.03 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.722 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -47.38 -43.31 23.24 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.2 -0.6 . . . . 1.0 109.755 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.15 -38.82 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' C' ' 110' ' ' ILE . 76.0 mt -72.88 -64.86 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.342 -0.543 . . . . 1.0 111.456 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.877 HG23 ' H ' ' C' ' 108' ' ' ALA . 16.7 m -47.84 -67.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.786 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.877 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -34.52 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.947 0.403 . . . . 1.0 111.184 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' C' ' 107' ' ' VAL . 96.9 t -93.17 -80.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.649 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 110' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' C' ' 106' ' ' ILE . 72.5 mt -46.34 -35.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.031 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 21.8 m -58.37 -52.71 64.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.625 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.49 -29.6 69.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.51 -59.04 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.359 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 13.2 pt -60.26 -39.26 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.836 0.35 . . . . 1.0 110.318 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.47 -42.31 78.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 1.0 109.984 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.87 -45.33 78.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.539 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -56.35 -21.11 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 1.0 110.157 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.75 -26.98 67.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -62.49 -47.05 85.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.839 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.33 114.1 26.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.935 0.398 . . . . 1.0 110.537 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 118.014 -1.437 . . . . 1.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 18.0 p-10 -172.71 92.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 m120 51.24 -142.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.36 77.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.4 p -78.61 -40.96 33.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 20.83 0.21 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.3 -28.25 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 1.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 m -55.07 -45.23 75.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 13' ' ' ALA . 10.2 ptp180 -62.7 -37.73 87.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.624 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -61.97 -47.82 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.66 -49.04 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.969 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.69 -34.09 77.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.194 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -64.95 -44.35 89.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.411 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.23 -14.57 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' C ' ' CD1' ' A' ' 16' ' ' TYR . . . -92.19 -66.23 1.12 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 121.461 -0.4 . . . . 1.0 112.471 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 15' ' ' GLY . 26.3 p90 35.51 32.04 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.933 0.397 . . . . 1.0 111.182 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 62.6 m -54.7 -23.57 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.49 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -50.1 -40.52 46.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -68.76 -42.46 77.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.47 -5.99 79.42 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' CD1' ' HE1' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -69.53 -49.04 58.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.117 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -56.39 -42.96 78.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.45 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -53.3 -30.43 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.63 ' HE1' ' CD1' ' A' ' 21' ' ' LEU . 7.0 m0 -68.86 -64.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.738 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.34 -13.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.98 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.613 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.28 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.629 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -78.91 2.92 18.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.478 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.91 -21.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.593 . . . . 1.0 111.598 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' ALA . 38.8 p90 -91.28 -41.69 10.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.214 0.531 . . . . 1.0 110.213 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 18.5 ttt85 -75.99 -22.28 56.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.401 -0.818 . . . . 1.0 109.498 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -58.2 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.47 -0.937 . . . . 1.0 108.47 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.09 -18.94 0.95 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.34 -0.846 . . . . 1.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.6 -58.79 1.79 Allowed Glycine 0 CA--C 1.531 1.086 0 C-N-CA 121.238 -0.506 . . . . 1.0 112.681 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.1 -33.38 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 117.172 0.486 . . . . 1.0 111.082 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -55.7 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 2.0 t -37.15 -19.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 37' ' ' ALA . 10.6 mt -89.49 -48.94 6.98 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 37' ' ' ALA . 39.0 mt -70.49 -40.37 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.47 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.432 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 4.7 p -96.87 -38.5 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 120.946 -0.302 . . . . 1.0 111.591 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 44' ' ' ILE . 9.3 p -60.72 -45.14 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.211 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 45' ' ' ALA . 17.1 tt -65.36 -47.03 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.188 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.15 -46.6 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.667 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.43 -172.12 2.83 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.356 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.18 0.43 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.3 m -151.58 167.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.331 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 52' ' ' ALA . 31.2 t0 -164.29 -137.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -52.3 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.564 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -154.51 20.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.799 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.92 -33.84 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.792 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -57.08 -40.72 77.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ILE . 67.0 t -47.69 -40.56 7.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.647 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 tp -49.24 -51.39 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.077 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.19 -43.25 70.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.254 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' MET . 12.9 mm -73.0 -55.31 13.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.208 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.9 m -49.36 -46.27 46.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.298 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -64.41 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.974 0.416 . . . . 1.0 110.467 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.5 -27.78 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.698 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' ILE . 31.5 ttm -60.37 -31.63 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.048 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -43.27 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.742 -0.836 . . . . 1.0 108.742 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.83 -31.44 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.196 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 70' ' ' ILE . 32.8 mtt -61.19 -34.85 75.74 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.688 -0.405 . . . . 1.0 109.978 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.13 -49.02 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 m -81.8 -21.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.381 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -92.56 -69.96 0.72 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 73' ' ' SER . 18.8 mt -57.1 -65.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.628 -0.429 . . . . 1.0 110.183 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.32 -40.57 11.98 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.679 -178.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 10.0 t-20 -58.35 -4.8 0.42 Allowed 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 m -90.14 -46.27 8.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' B' ' 75' ' ' ILE . . . -61.84 -51.38 68.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.382 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' C' ' 74' ' ' ALA . 10.3 pt -66.78 -16.61 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 51.0 mm-40 -93.68 -28.66 15.84 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.582 -0.896 . . . . 1.0 108.582 177.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -64.15 -46.26 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.387 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.94 -45.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 79' ' ' VAL . 3.3 p -86.83 -26.11 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.691 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' GLU . 28.9 t70 -80.24 -98.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.519 0.563 . . . . 1.0 112.519 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 15.4 mmm180 -96.69 -16.25 21.02 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.058 0.392 . . . . 1.0 112.058 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt 34.95 96.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.009 0.433 . . . . 1.0 111.577 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -84.83 -39.04 8.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' GLY . 11.6 t 47.54 98.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 1.0 110.621 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.84 169.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.28 -15.05 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -55.46 -25.23 35.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.066 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.82 106.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.138 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.3 tp -174.43 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.5 p -70.75 32.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.284 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.9 170.57 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.7 -21.41 25.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.085 0.469 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.62 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.61 -30.77 70.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.599 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.32 4.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.722 0.296 . . . . 1.0 111.084 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 mtt -71.93 -45.95 59.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.001 0.429 . . . . 1.0 109.976 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . . . -63.52 -37.02 94.13 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.0 m -48.28 -30.94 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 1.0 110.654 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.26 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.493 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.744 HG23 ' H ' ' A' ' 102' ' ' LEU . 20.9 m -67.05 -60.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.246 -0.582 . . . . 1.0 109.49 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.744 ' H ' HG23 ' A' ' 101' ' ' VAL . 14.1 mt -53.57 -49.97 66.57 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.165 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.754 ' O ' HG22 ' A' ' 107' ' ' VAL . 16.9 mt -64.84 -24.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.278 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -41.27 -48.18 3.53 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.057 0.455 . . . . 1.0 110.601 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.7 mt -62.44 -38.9 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.089 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 103' ' ' ILE . 15.1 mt -74.05 -62.49 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.593 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -48.47 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.903 -178.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.2 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.864 0.364 . . . . 1.0 111.867 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.1 t -89.76 -77.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.084 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.73 -27.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 1.0 110.906 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 97.0 m -59.57 -47.71 84.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.19 58.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.67 -58.01 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.932 -0.307 . . . . 1.0 111.161 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 115' ' ' LEU . 3.3 tp -60.05 -43.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.701 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 114' ' ' ILE . 76.8 mt -60.81 -41.39 95.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.308 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 11.1 tp -62.44 -46.6 87.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.96 -28.0 67.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.679 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.5 m -65.16 -38.24 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.089 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 120' ' ' PHE . 1.8 p-80 -76.51 -43.81 37.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.471 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 36.5 t80 -45.49 147.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 CA-C-O 118.016 -1.435 . . . . 1.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 18.0 p-10 -172.72 92.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.29 -142.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.28 77.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -78.54 -41.06 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.537 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.25 20.98 0.21 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.3 -28.36 27.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 1.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.8 m -54.96 -45.3 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.783 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -62.69 -37.73 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.626 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.95 -47.88 91.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.889 -0.411 . . . . 1.0 109.889 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.64 -49.02 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.005 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.75 -33.94 77.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.37 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.281 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 -14.43 53.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.186 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CD1' ' B' ' 16' ' ' TYR . . . -92.18 -66.1 1.12 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.486 -0.387 . . . . 1.0 112.392 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' B' ' 15' ' ' GLY . 25.9 p90 35.32 31.94 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.08 0.467 . . . . 1.0 111.24 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 15' ' ' GLY . 58.8 m -53.22 -26.56 18.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.453 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -48.56 -40.32 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.805 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -68.84 -42.49 77.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 1.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.55 -5.89 79.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.641 ' CD1' ' HE1' ' B' ' 25' ' ' TRP . 0.2 OUTLIER -69.58 -48.98 58.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 1.0 110.104 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -56.38 -42.94 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.14 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.5 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 21' ' ' LEU . . . -53.27 -30.41 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.737 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.641 ' HE1' ' CD1' ' B' ' 21' ' ' LEU . 7.0 m0 -68.87 -64.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -57.24 -13.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.531 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.97 -61.74 2.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.574 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.25 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -78.9 2.91 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.8 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.516 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' ALA . 38.9 p90 -91.31 -41.74 10.76 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.15 0.5 . . . . 1.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' ALA . 18.4 ttt85 -75.98 -22.21 56.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.494 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -58.25 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.523 -0.917 . . . . 1.0 108.523 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.06 -18.91 0.91 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.31 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.66 -58.78 1.78 Allowed Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.241 -0.504 . . . . 1.0 112.698 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -50.05 -33.46 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 117.172 0.486 . . . . 1.0 111.042 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -55.58 -62.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.979 -0.749 . . . . 1.0 108.979 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' B' ' 42' ' ' VAL . 2.0 t -37.12 -19.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.382 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' B' ' 37' ' ' ALA . 10.6 mt -89.47 -49.0 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.811 -0.811 . . . . 1.0 108.811 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 37' ' ' ALA . 38.2 mt -70.42 -40.33 73.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.82 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.65 62.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.402 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' B' ' 38' ' ' VAL . 4.7 p -96.79 -38.56 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.949 -0.3 . . . . 1.0 111.619 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.523 HG13 ' N ' ' B' ' 44' ' ' ILE . 9.3 p -60.73 -45.1 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.158 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.56 HG23 ' N ' ' B' ' 45' ' ' ALA . 17.2 tt -65.52 -46.89 88.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.918 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.56 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -59.76 -28.96 67.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.208 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.29 -46.52 73.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.661 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -63.67 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.132 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -93.34 -172.14 2.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.433 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -155.16 0.43 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.66 167.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 52' ' ' ALA . 31.4 t0 -164.29 -137.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' B' ' 51' ' ' ASP . . . -52.39 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -154.46 21.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.841 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -40.06 -33.76 0.24 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.934 0.397 . . . . 1.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -57.05 -40.8 77.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.796 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 53' ' ' ILE . 67.3 t -47.65 -40.53 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.66 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.21 -51.42 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.18 -43.22 70.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.271 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 63' ' ' MET . 12.9 mm -72.99 -55.35 13.09 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.176 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -49.38 -46.31 47.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.248 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -64.28 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 1.0 110.539 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.53 -27.76 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' B' ' 59' ' ' ILE . 31.5 ttm -60.4 -31.56 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.992 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.82 -43.28 80.86 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.75 -31.55 52.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.198 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.0 mtt -61.04 -35.04 75.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.627 -0.429 . . . . 1.0 109.969 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.95 -49.04 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 m -81.78 -21.54 10.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.359 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.43 -70.14 0.71 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.982 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 73' ' ' SER . 18.6 mt -57.02 -65.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.211 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 73' ' ' SER . 0.1 OUTLIER -46.43 -40.5 12.33 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.71 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' B' ' 76' ' ' GLU . 9.8 t-20 -58.41 -4.74 0.42 Allowed 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.5 m -90.23 -46.25 8.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.546 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.476 ' HB1' HG21 ' C' ' 75' ' ' ILE . . . -61.85 -51.31 68.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.331 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.479 HG21 ' HB1' ' A' ' 74' ' ' ALA . 10.3 pt -66.91 -16.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.224 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' B' ' 72' ' ' ASN . 51.3 mm-40 -93.64 -28.68 15.85 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 82' ' ' ILE . . . -64.21 -46.21 84.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.354 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.99 -45.1 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.636 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG12 ' B' ' 79' ' ' VAL . 3.3 p -86.87 -26.03 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.705 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 76' ' ' GLU . 29.0 t70 -80.35 -98.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.526 0.565 . . . . 1.0 112.526 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 82' ' ' ILE . 15.4 mmm180 -96.65 -16.17 21.11 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.098 0.407 . . . . 1.0 112.098 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' B' ' 77' ' ' ALA . 3.8 tt 34.83 96.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.085 0.469 . . . . 1.0 111.488 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -84.91 -38.94 8.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 83' ' ' GLY . 11.7 t 47.57 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 1.0 110.655 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.95 169.3 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 1.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.34 -15.04 47.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.658 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -55.43 -25.24 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.061 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.87 106.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.081 -0.34 . . . . 1.0 110.081 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.3 tp -174.61 -51.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 91' ' ' GLY . 20.6 p -70.94 32.2 0.04 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.219 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.84 170.51 0.04 OUTLIER Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.62 -21.38 25.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.144 0.497 . . . . 1.0 110.159 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -51.74 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.709 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.57 -30.8 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.566 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.34 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.741 0.305 . . . . 1.0 111.187 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.8 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 1.0 110.019 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.662 ' O ' HG13 ' B' ' 101' ' ' VAL . . . -63.67 -36.98 94.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -48.18 -30.94 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 1.0 110.687 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.29 -50.78 5.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.784 -0.451 . . . . 1.0 109.784 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.27 -25.45 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.47 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.733 HG23 ' H ' ' B' ' 102' ' ' LEU . 21.5 m -66.87 -60.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.549 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.733 ' H ' HG23 ' B' ' 101' ' ' VAL . 13.8 mt -53.71 -49.94 66.99 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.188 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' B' ' 107' ' ' VAL . 16.6 mt -64.82 -24.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.324 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -41.32 -48.3 3.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.113 0.482 . . . . 1.0 110.554 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 109' ' ' VAL . 83.9 mt -62.29 -38.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.091 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' B' ' 103' ' ' ILE . 14.8 mt -74.04 -62.54 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.576 -0.45 . . . . 1.0 111.569 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.775 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.4 OUTLIER -48.41 -75.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 120.706 -0.397 . . . . 1.0 110.857 -178.631 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.683 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.23 -33.05 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.845 0.355 . . . . 1.0 111.759 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.1 t -89.78 -77.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.019 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.63 -27.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.325 . . . . 1.0 110.928 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 96.8 m -59.62 -47.7 84.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.18 58.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.71 -58.03 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.489 HG23 ' N ' ' B' ' 115' ' ' LEU . 3.3 tp -59.95 -43.33 92.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.685 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.489 ' N ' HG23 ' B' ' 114' ' ' ILE . 75.8 mt -60.84 -41.38 95.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 1.0 110.315 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 11.0 tp -62.38 -46.56 88.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.233 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.0 -27.95 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 69.1 m -65.23 -38.25 89.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.075 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' B' ' 120' ' ' PHE . 1.8 p-80 -76.37 -43.95 38.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 1.0 110.523 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' B' ' 119' ' ' HIS . 36.3 t80 -45.41 147.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.695 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 118.008 -1.44 . . . . 1.0 110.938 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' C' ' 2' ' ' ASN . 17.9 p-10 -172.75 92.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 m120 51.23 -142.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.53 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.3 77.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.578 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -78.65 -41.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.537 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.27 20.96 0.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.28 -28.34 27.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.848 0.356 . . . . 1.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.0 m -55.02 -45.24 75.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.784 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -62.76 -37.69 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mt -61.93 -47.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.952 -0.388 . . . . 1.0 109.952 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.52 -49.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.985 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.68 -34.01 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.258 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.4 89.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.39 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.12 -14.55 53.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.218 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' C' ' 16' ' ' TYR . . . -92.24 -66.3 1.12 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 121.484 -0.388 . . . . 1.0 112.382 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' C' ' 15' ' ' GLY . 26.4 p90 35.52 32.15 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.923 0.392 . . . . 1.0 111.125 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 15' ' ' GLY . 61.5 m -54.78 -23.59 18.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.471 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -50.03 -40.53 45.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.596 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.8 -42.46 77.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.39 -6.16 79.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.636 ' CD1' ' HE1' ' C' ' 25' ' ' TRP . 0.2 OUTLIER -69.51 -48.99 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 1.0 110.137 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -56.35 -42.97 78.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.501 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.09 63.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' C' ' 21' ' ' LEU . . . -53.2 -30.45 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.758 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.636 ' HE1' ' CD1' ' C' ' 21' ' ' LEU . 7.0 m0 -68.88 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.26 -13.83 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.59 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.99 -61.7 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.623 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.83 -27.26 2.11 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -79.0 2.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.437 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.9 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.516 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' C' ' 29' ' ' ALA . 38.7 p90 -91.19 -41.72 10.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.245 0.545 . . . . 1.0 110.238 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 29' ' ' ALA . 18.5 ttt85 -76.02 -22.16 56.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.507 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -58.23 -64.85 0.77 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.516 -0.92 . . . . 1.0 108.516 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.14 -18.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.32 -0.854 . . . . 1.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.71 -58.76 1.78 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 121.249 -0.5 . . . . 1.0 112.697 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.09 -33.41 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 117.142 0.471 . . . . 1.0 111.06 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -55.67 -62.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.981 -0.748 . . . . 1.0 108.981 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' C' ' 42' ' ' VAL . 2.0 t -37.2 -19.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.745 -0.661 . . . . 1.0 111.328 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' C' ' 37' ' ' ALA . 10.7 mt -89.53 -48.87 7.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' C' ' 37' ' ' ALA . 38.6 mt -70.52 -40.31 73.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.727 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.54 62.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.486 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' C' ' 38' ' ' VAL . 4.7 p -96.74 -38.6 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.643 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.517 HG13 ' N ' ' C' ' 44' ' ' ILE . 9.5 p -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.182 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.595 HG23 ' N ' ' C' ' 45' ' ' ALA . 17.1 tt -65.38 -47.07 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.919 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.595 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -59.66 -29.06 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 24.2 t -67.16 -46.66 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.713 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -63.67 -38.4 90.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.104 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.42 -172.15 2.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.372 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.22 0.43 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.704 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 32.4 m -151.61 167.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' C' ' 52' ' ' ALA . 31.2 t0 -164.28 -137.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.654 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.492 ' N ' ' OD1' ' C' ' 51' ' ' ASP . . . -52.26 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.1 OUTLIER -154.52 21.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.795 -179.828 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.94 -33.81 0.24 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.891 0.376 . . . . 1.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -57.12 -40.72 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.846 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' C' ' 53' ' ' ILE . 67.9 t -47.63 -40.61 7.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.683 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.19 -51.4 32.98 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.15 -43.28 70.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.21 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' C' ' 63' ' ' MET . 12.9 mm -72.96 -55.33 13.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.218 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 73.7 m -49.43 -46.31 47.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -64.31 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.439 . . . . 1.0 110.512 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -58.55 -27.7 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.672 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.429 ' N ' ' O ' ' C' ' 59' ' ' ILE . 31.5 ttm -60.52 -31.52 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.967 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.82 -43.21 80.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.675 -0.861 . . . . 1.0 108.675 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 t -67.82 -31.44 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.258 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' C' ' 70' ' ' ILE . 32.9 mtt -61.12 -34.88 75.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.027 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 mm -53.04 -49.11 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.413 ' H ' HG22 ' C' ' 68' ' ' VAL . 24.4 m -81.73 -21.61 10.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.31 -70.06 0.71 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.674 -0.411 . . . . 1.0 111.062 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' C' ' 73' ' ' SER . 18.5 mt -57.1 -65.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' C' ' 73' ' ' SER . 0.1 OUTLIER -46.36 -40.51 12.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.715 -178.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' C' ' 76' ' ' GLU . 9.9 t-20 -58.52 -4.66 0.43 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.506 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.6 m -90.24 -46.28 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.536 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' ALA . . . . . 0.482 ' HB1' HG21 ' A' ' 75' ' ' ILE . . . -61.8 -51.26 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.432 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.476 HG21 ' HB1' ' B' ' 74' ' ' ALA . 10.3 pt -66.86 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.204 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' C' ' 72' ' ' ASN . 51.0 mm-40 -93.5 -28.77 15.89 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 108.662 -0.866 . . . . 1.0 108.662 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -64.11 -46.27 84.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.345 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.96 -45.12 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.78 -26.08 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.665 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' C' ' 76' ' ' GLU . 28.8 t70 -80.39 -98.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 15.4 mmm180 -96.66 -16.24 21.06 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 77' ' ' ALA . 3.8 tt 34.98 96.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.024 0.44 . . . . 1.0 111.542 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -84.81 -39.01 8.96 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 83' ' ' GLY . 11.9 t 47.45 98.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -60.84 169.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -84.33 -15.04 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -55.43 -25.29 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.981 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.89 106.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.073 -0.343 . . . . 1.0 110.073 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.3 tp -174.43 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' GLY . 20.4 p -70.84 32.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.257 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.85 170.53 0.04 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.664 -0.974 . . . . 1.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.65 -21.35 25.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.043 0.449 . . . . 1.0 110.146 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.59 60.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.708 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.68 -30.75 70.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.577 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 55.3 m-20 -43.62 -40.36 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.717 0.294 . . . . 1.0 111.126 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.84 59.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.0 109.995 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.671 ' O ' HG13 ' C' ' 101' ' ' VAL . . . -63.68 -36.97 94.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 49.4 m -48.29 -30.91 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.925 0.393 . . . . 1.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.22 -50.93 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.761 -0.459 . . . . 1.0 109.761 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.12 -25.43 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.548 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.726 HG23 ' H ' ' C' ' 102' ' ' LEU . 21.2 m -66.95 -60.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.515 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.726 ' H ' HG23 ' C' ' 101' ' ' VAL . 12.7 mt -53.86 -49.85 67.57 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.945 -0.702 . . . . 1.0 110.15 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.772 ' O ' HG22 ' C' ' 107' ' ' VAL . 16.8 mt -64.75 -24.34 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.282 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.37 -48.18 3.68 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.988 0.423 . . . . 1.0 110.521 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.463 ' O ' HG23 ' C' ' 109' ' ' VAL . 84.1 mt -62.36 -38.95 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 103' ' ' ILE . 15.2 mt -74.06 -62.4 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 120.461 -0.495 . . . . 1.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.772 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.4 OUTLIER -48.48 -75.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.865 -178.652 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.689 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.25 -33.0 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.866 0.365 . . . . 1.0 111.826 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.5 t -89.85 -77.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.69 -27.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.713 0.292 . . . . 1.0 110.884 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 97.0 m -59.56 -47.67 84.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -75.43 -26.13 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.73 -58.12 7.12 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.504 HG23 ' N ' ' C' ' 115' ' ' LEU . 3.4 tp -59.95 -43.32 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.615 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.504 ' N ' HG23 ' C' ' 114' ' ' ILE . 76.3 mt -60.88 -41.27 95.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 1.0 110.351 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.431 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 11.0 tp -62.42 -46.57 87.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.185 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -68.02 -27.87 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 69.3 m -65.28 -38.2 89.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.13 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' C' ' 120' ' ' PHE . 1.9 p-80 -76.52 -43.87 37.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.479 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' C' ' 119' ' ' HIS . 36.2 t80 -45.28 146.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.956 -1.469 . . . . 1.0 110.918 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.8 t30 55.76 62.06 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -75.74 96.1 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.14 101.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.55 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.8 m -161.17 -41.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.0 -48.17 10.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.07 -31.14 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 1.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 m -58.67 -36.49 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 98.4 mtt180 -63.21 -37.67 88.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.572 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.683 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.8 mp -68.58 -49.61 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.969 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.38 -49.42 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.279 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -65.95 -38.02 87.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.542 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.53 -33.49 73.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.595 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.49 -14.79 58.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.9 -50.57 32.09 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 4.3 p90 -98.34 34.28 2.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.8 0.333 . . . . 1.0 110.5 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -62.95 -30.43 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.599 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -64.29 -46.18 84.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.43 -39.22 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.13 -27.55 46.32 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.06 -45.14 43.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 1.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -69.13 -29.82 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.17 63.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.87 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.691 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.44 -63.66 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 pt -60.62 -16.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.19 42.49 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.67 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.08 0.467 . . . . 1.0 110.763 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.168 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.509 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 32' ' ' ARG . 55.8 p90 -90.43 -45.38 9.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.019 0.437 . . . . 1.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.548 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 27.6 ttm-85 -63.69 -27.53 69.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.771 -0.649 . . . . 1.0 109.98 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 35' ' ' GLY . 27.4 mt-30 -59.61 -60.99 2.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.36 -26.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.0 111.25 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -94.68 -45.93 3.06 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.518 -0.633 . . . . 1.0 111.518 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -44.17 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 122.669 -0.313 . . . . 1.0 111.06 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -61.12 -70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 1.0 110.22 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.3 m -40.41 -19.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.019 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.72 -55.79 3.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.4 tp -59.77 -33.54 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.033 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.07 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.92 -1.036 . . . . 1.0 110.593 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' VAL . 46.1 t -91.26 -40.22 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.03 -48.8 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.657 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.08 -46.5 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.93 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.57 74.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.26 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -60.01 -51.76 68.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.52 -32.87 65.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.288 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.92 110.13 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 1.0 110.643 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.77 37.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.951 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' ALA . 27.9 p30 -106.21 157.71 17.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.911 0.386 . . . . 1.0 110.135 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -60.63 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.193 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.569 HG21 HG23 ' B' ' 53' ' ' ILE . 8.5 tt -176.69 -11.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.26 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' LEU . 20.9 m -43.32 -46.87 6.57 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.715 0.293 . . . . 1.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -39.72 19.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' ILE . 24.7 t -60.48 -29.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.622 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' THR . 39.4 tp -47.56 -43.84 25.63 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.14 -38.29 68.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 63' ' ' MET . 68.1 mt -77.76 -54.97 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.029 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 m -44.08 -39.9 4.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.68 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 p -64.0 -45.72 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.765 -0.828 . . . . 1.0 108.765 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ILE . 99.4 t -69.66 -26.99 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.05 -0.977 . . . . 1.0 110.412 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' ILE . 23.1 ttt -57.34 -38.56 74.31 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.7 -35.9 81.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.55 -41.09 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.284 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.2 mtt -54.25 -36.14 63.26 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.9 -24.7 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 120.069 -0.653 . . . . 1.0 109.284 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.16 -27.88 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.773 0.321 . . . . 1.0 111.236 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.79 -57.2 2.35 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.124 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' SER . 45.4 mm -59.54 -58.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 73' ' ' SER . 3.9 tt -46.09 -43.62 14.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.89 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -54.47 -9.82 0.35 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.382 0.611 . . . . 1.0 109.835 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -89.61 -49.11 6.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.624 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.21 70.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.949 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -63.94 -15.51 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.461 -0.79 . . . . 1.0 109.67 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' ASP . 58.5 tt0 -93.48 -29.3 15.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.71 -51.05 68.68 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.047 -0.978 . . . . 1.0 110.776 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 78' ' ' VAL . 5.6 m -54.89 -41.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.658 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 79' ' ' VAL . 7.6 m -84.69 -26.23 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.333 -0.547 . . . . 1.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 76' ' ' GLU . 7.5 m-20 -82.48 -106.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.879 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -104.69 -54.91 2.43 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.051 0.389 . . . . 1.0 112.051 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.51 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.03 -99.32 2.55 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.3 m 50.57 42.45 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 1.0 110.693 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -57.56 -73.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 54.8 t80 -85.38 -15.0 44.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.011 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 53.4 t-80 -54.88 -62.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.005 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.48 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 87' ' ' HIS . 8.2 tp -172.03 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.9 m -71.51 19.32 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.98 169.29 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.475 -1.05 . . . . 1.0 110.475 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.01 -21.37 24.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.164 0.507 . . . . 1.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.7 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.649 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.56 -27.7 67.17 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.35 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.072 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.4 mtt -75.03 -47.08 30.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.88 -36.99 93.75 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 m -48.82 -33.82 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.77 0.319 . . . . 1.0 110.774 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.97 -52.95 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.23 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.307 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 97' ' ' GLY . 16.8 t -67.59 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.55 -47.24 66.88 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.16 0.505 . . . . 1.0 110.064 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 107' ' ' VAL . 13.2 mm -73.4 -21.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.48 4.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.397 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.9 tt -68.84 -40.01 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.855 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' ILE . 96.4 mt -71.89 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.848 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.618 HG12 ' N ' ' A' ' 108' ' ' ALA . 1.8 t -49.26 -72.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.828 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.618 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -33.73 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.831 0.348 . . . . 1.0 111.741 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.8 t -93.66 -75.35 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.957 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.6 mp -45.69 -42.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.603 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.48 -41.01 88.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.549 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 1.0 110.215 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.83 -57.82 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.828 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 115' ' ' LEU . 10.4 tp -63.11 -40.5 89.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.76 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.4 tp -56.81 -31.77 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -71.68 -40.28 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.976 179.602 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -59.62 -22.01 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.2 -32.51 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -154.9 143.48 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.953 -1.47 . . . . 1.0 110.927 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.68 62.13 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -75.76 96.15 3.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.607 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.17 101.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.0 m -161.1 -41.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.05 -48.15 10.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -54.11 -30.98 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 1.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -58.78 -36.46 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.637 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 98.5 mtt180 -63.24 -37.71 88.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.686 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.8 mp -68.53 -49.62 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.95 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.38 -49.35 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.281 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -65.96 -38.14 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.46 -33.51 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.544 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.65 -14.73 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.809 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.92 -50.5 32.44 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.521 ' CD1' ' N ' ' B' ' 16' ' ' TYR . 4.3 p90 -98.4 34.31 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.78 0.324 . . . . 1.0 110.476 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -63.08 -30.3 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -64.31 -46.2 84.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.61 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.38 -39.12 92.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -27.66 46.89 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.8 -45.55 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 1.0 110.487 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -68.82 -30.01 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.19 63.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.96 89.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.34 -63.66 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -60.64 -16.76 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.719 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.16 42.48 1.36 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.376 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' B' ' 30' ' ' ALA . 70.0 tt0 179.71 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.041 0.448 . . . . 1.0 110.72 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.2 5.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -38.43 -31.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.482 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' B' ' 32' ' ' ARG . 56.1 p90 -90.43 -45.44 8.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.976 0.417 . . . . 1.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.555 ' N ' ' CD2' ' B' ' 31' ' ' PHE . 27.5 ttm-85 -63.57 -27.68 69.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' B' ' 35' ' ' GLY . 27.4 mt-30 -59.46 -61.04 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.51 -26.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -94.75 -45.88 3.05 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.515 -0.634 . . . . 1.0 111.515 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.08 -44.13 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 122.752 -0.263 . . . . 1.0 111.029 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -61.23 -70.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 1.0 110.08 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.547 ' O ' HG23 ' B' ' 42' ' ' VAL . 18.3 m -40.51 -18.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.01 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.84 -55.74 3.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.4 tp -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.034 -0.984 . . . . 1.0 110.048 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.8 -23.05 64.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.588 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 38' ' ' VAL . 45.6 t -91.26 -40.18 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.04 -48.86 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.61 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.03 -46.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.877 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.6 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.99 -51.72 68.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.56 -32.9 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.244 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.248 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.97 110.14 3.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.73 37.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.992 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 52' ' ' ALA . 27.7 p30 -106.16 157.77 17.32 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.958 0.408 . . . . 1.0 110.099 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -60.7 -125.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.242 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.569 HG23 HG21 ' A' ' 53' ' ' ILE . 8.5 tt -176.67 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.651 -0.25 . . . . 1.0 111.287 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 57' ' ' LEU . 20.8 m -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.334 -0.099 0 O-C-N 122.192 -0.317 . . . . 1.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -39.74 18.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.949 0.404 . . . . 1.0 109.968 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 59' ' ' ILE . 24.5 t -60.48 -29.41 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.624 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 54' ' ' THR . 38.9 tp -47.46 -43.78 24.52 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 62' ' ' VAL . 18.9 mt -55.22 -38.33 68.29 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' B' ' 63' ' ' MET . 66.2 mt -77.74 -54.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.081 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.5 m -44.06 -39.94 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.629 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.6 p -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.668 -0.864 . . . . 1.0 108.668 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 59' ' ' ILE . 97.7 t -69.49 -27.04 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.463 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.467 ' N ' ' O ' ' B' ' 59' ' ' ILE . 23.4 ttt -57.41 -38.56 74.52 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.58 -35.96 81.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.53 -41.11 87.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.313 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.1 mtt -54.28 -36.17 63.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.472 -0.566 . . . . 1.0 109.472 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.86 -24.71 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.044 -0.662 . . . . 1.0 109.317 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.18 -27.84 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 120.747 0.308 . . . . 1.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -96.86 -57.05 2.38 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.139 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.8 mm -59.67 -58.79 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' B' ' 73' ' ' SER . 3.9 tt -46.15 -43.73 15.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.43 -0.508 . . . . 1.0 109.766 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -54.37 -9.81 0.33 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.315 0.578 . . . . 1.0 109.95 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 3.6 t -89.66 -49.06 6.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.608 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.34 69.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.84 -15.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.729 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 58.1 tt0 -93.5 -29.26 15.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.665 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 m -54.85 -41.19 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.553 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 8.0 m -84.56 -26.27 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.517 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 7.5 m-20 -82.42 -106.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.097 -0.641 . . . . 1.0 110.89 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -104.63 -54.95 2.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.48 140.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.04 -99.3 2.55 Favored Glycine 0 N--CA 1.467 0.713 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 65.3 m 50.56 42.41 26.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 1.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.54 -73.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.113 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 54.7 t80 -85.31 -14.97 44.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 89' ' ' LEU . 53.4 t-80 -54.82 -62.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.021 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -47.58 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.482 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 87' ' ' HIS . 8.2 tp -172.03 -51.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.3 m -71.48 19.37 0.06 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 111.025 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.0 169.26 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' B' ' 92' ' ' ARG . 29.7 ptt-85 -88.03 -21.28 24.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 1.0 109.892 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.64 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.673 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.7 -27.54 66.92 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -43.55 -40.89 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.069 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.11 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.581 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.93 -37.01 93.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.7 m -48.77 -33.9 11.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.721 0.296 . . . . 1.0 110.744 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.93 -52.94 4.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.7 -22.15 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.307 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 97' ' ' GLY . 16.9 t -67.62 -58.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.427 -0.582 . . . . 1.0 109.427 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.36 -47.29 66.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.187 0.518 . . . . 1.0 110.116 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.543 HG22 HG23 ' B' ' 107' ' ' VAL . 13.1 mm -73.38 -21.34 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.656 -0.417 . . . . 1.0 111.172 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.42 -45.42 4.36 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.51 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 109' ' ' VAL . 12.9 tt -68.79 -40.07 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 109.874 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 110' ' ' ILE . 96.4 mt -71.87 -63.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.73 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 108' ' ' ALA . 1.8 t -49.33 -72.76 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.233 -0.439 . . . . 1.0 109.91 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.6 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -33.86 -34.65 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 111.721 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.7 t -93.61 -75.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.042 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.519 HD12 ' N ' ' B' ' 110' ' ' ILE . 1.6 mp -45.71 -42.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.613 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.56 -41.02 89.19 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.33 -28.58 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.997 0.427 . . . . 1.0 110.25 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.88 -57.84 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.763 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.472 HG23 ' N ' ' B' ' 115' ' ' LEU . 10.4 tp -63.09 -40.41 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.806 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.472 ' N ' HG23 ' B' ' 114' ' ' ILE . 10.4 tp -56.91 -31.66 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 1.0 109.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.556 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -71.6 -40.34 69.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.953 179.564 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -59.76 -21.88 61.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.357 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' SER . . . . . 0.402 ' OG ' ' OD2' ' C' ' 51' ' ' ASP . 7.1 m -70.27 -32.43 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -41.99 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -155.0 143.47 20.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.407 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.756 0 CA-C-O 117.936 -1.48 . . . . 1.0 110.97 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 54.9 t30 55.7 62.13 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.566 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -75.78 96.19 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.23 101.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.476 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.3 m -161.11 -41.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.03 -48.18 10.24 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -54.04 -30.97 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 1.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -58.82 -36.48 74.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 98.5 mtt180 -63.23 -37.66 88.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.666 HD12 ' N ' ' C' ' 10' ' ' ILE . 1.8 mp -68.65 -49.47 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.51 -49.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.201 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.5 -33.5 73.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.62 -14.69 58.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.9 -50.56 32.12 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' C' ' 16' ' ' TYR . 4.3 p90 -98.33 34.19 2.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.81 0.338 . . . . 1.0 110.492 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -63.05 -30.29 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -64.43 -46.13 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.563 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.42 -39.1 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.28 -27.52 47.15 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tp -74.89 -45.47 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 1.0 110.502 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -68.89 -29.9 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.16 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.663 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.609 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.28 -63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.62 -16.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.76 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.23 42.5 1.36 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.363 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.61 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.734 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.26 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.219 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.527 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' C' ' 32' ' ' ARG . 55.7 p90 -90.45 -45.52 8.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.973 0.416 . . . . 1.0 110.821 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' C' ' 31' ' ' PHE . 27.4 ttm-85 -63.52 -27.71 69.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.96 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' C' ' 35' ' ' GLY . 27.5 mt-30 -59.52 -61.06 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.16 -0.682 . . . . 1.0 109.16 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -40.39 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.305 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.74 -46.01 3.02 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 111.399 -0.68 . . . . 1.0 111.399 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 32' ' ' ARG . 55.9 t -56.02 -44.14 77.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 O-C-N 122.688 -0.301 . . . . 1.0 111.042 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -61.13 -70.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 1.0 110.138 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.539 ' O ' HG23 ' C' ' 42' ' ' VAL . 18.0 m -40.41 -19.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.698 . . . . 1.0 110.999 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.79 -55.82 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.4 tp -59.59 -33.67 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.028 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -23.05 64.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.539 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' C' ' 38' ' ' VAL . 45.9 t -91.25 -40.13 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.964 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.94 -48.95 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 1.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.05 -46.49 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.908 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.57 74.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.99 -51.82 68.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -56.35 -32.96 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.292 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.9 128.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.274 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.89 110.11 3.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.72 37.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.984 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' C' ' 52' ' ' ALA . 27.8 p30 -106.14 157.75 17.32 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.902 0.382 . . . . 1.0 110.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -60.71 -125.48 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.169 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.566 HG23 HG21 ' B' ' 53' ' ' ILE . 8.5 tt -176.71 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.232 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 20.9 m -43.34 -46.89 6.63 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-O 120.727 0.299 . . . . 1.0 111.226 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -39.77 18.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.917 0.389 . . . . 1.0 109.977 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' C' ' 59' ' ' ILE . 24.4 t -60.5 -29.33 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.59 -43.79 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.86 -0.422 . . . . 1.0 109.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.13 -38.37 68.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' C' ' 63' ' ' MET . 67.9 mt -77.68 -55.07 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.637 -0.71 . . . . 1.0 110.035 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 18.1 m -43.97 -40.02 4.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.661 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 16.9 p -63.97 -45.63 88.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' C' ' 59' ' ' ILE . 98.5 t -69.67 -27.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.453 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.447 ' N ' ' O ' ' C' ' 59' ' ' ILE . 23.1 ttt -57.3 -38.73 74.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.46 -36.02 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.57 -40.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.323 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.482 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.1 mtt -54.37 -36.18 63.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 67' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 73.4 mt -59.78 -24.73 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.056 -0.658 . . . . 1.0 109.327 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.12 -27.89 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.709 0.29 . . . . 1.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -96.82 -57.09 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.172 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' C' ' 66' ' ' MET . 45.0 mm -59.59 -58.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' C' ' 73' ' ' SER . 3.9 tt -46.07 -43.84 14.96 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.4 -0.52 . . . . 1.0 109.771 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -54.37 -9.79 0.33 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.356 0.598 . . . . 1.0 109.915 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.477 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.5 t -89.65 -49.12 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.34 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.991 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.86 -15.53 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.705 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' C' ' 80' ' ' ASP . 57.8 tt0 -93.48 -29.28 15.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.884 -1.154 . . . . 1.0 107.884 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.999 -1.001 . . . . 1.0 110.704 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 78' ' ' VAL . . . . . 0.405 HG22 ' H ' ' C' ' 78' ' ' VAL . 5.4 m -54.89 -41.1 55.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.606 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 m -84.65 -26.22 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.469 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' C' ' 76' ' ' GLU . 7.5 m-20 -82.44 -106.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.106 -0.638 . . . . 1.0 110.912 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -104.56 -54.99 2.42 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.093 0.405 . . . . 1.0 112.093 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.53 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.01 -99.3 2.54 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 64.1 m 50.63 42.41 26.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.771 0.319 . . . . 1.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.61 -73.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.082 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 55.0 t80 -85.41 -14.98 44.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' C' ' 89' ' ' LEU . 53.5 t-80 -54.86 -62.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.001 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.52 89.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.937 -0.305 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' C' ' 87' ' ' HIS . 8.3 tp -172.07 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -71.46 19.36 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.934 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.94 169.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.53 -1.028 . . . . 1.0 110.53 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -88.01 -21.42 24.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 1.0 109.817 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.7 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.668 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -67.68 -27.63 67.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.41 -41.0 4.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.067 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.04 31.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.578 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.92 -36.94 93.68 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.6 m -48.91 -33.79 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.315 . . . . 1.0 110.725 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.98 4.33 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 1.0 109.788 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -22.11 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 97' ' ' GLY . 16.8 t -67.72 -58.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 -47.36 66.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.112 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' C' ' 107' ' ' VAL . 13.1 mm -73.28 -21.41 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.24 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.34 -45.43 4.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.595 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.439 ' O ' HG23 ' C' ' 109' ' ' VAL . 12.8 tt -68.77 -40.06 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.919 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' C' ' 110' ' ' ILE . 96.4 mt -71.96 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.61 HG12 ' N ' ' C' ' 108' ' ' ALA . 1.8 t -49.3 -72.84 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.61 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -33.83 -34.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.814 0.34 . . . . 1.0 111.745 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' C' ' 107' ' ' VAL . 43.7 t -93.57 -75.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.041 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 110' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 110' ' ' ILE . 1.6 mp -45.79 -41.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.562 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.55 -41.06 89.24 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.477 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.34 -28.53 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.257 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.94 -57.75 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.802 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.475 HG23 ' N ' ' C' ' 115' ' ' LEU . 10.4 tp -63.15 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.806 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.475 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.4 tp -56.9 -31.76 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.534 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -71.57 -40.34 70.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.019 179.57 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -59.72 -22.01 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.1 -32.46 70.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.48 -41.92 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -154.99 143.5 20.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.988 -1.451 . . . . 1.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -75.3 -53.91 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -76.0 136.97 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.567 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -161.43 129.8 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.57 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.1 42.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.11 -34.74 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 1.0 110.518 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.86 -36.45 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.629 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 77.9 ttt180 -59.94 -42.02 93.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.12 -50.21 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.417 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.95 -48.49 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.59 -33.48 76.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.436 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.09 -41.21 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.533 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.45 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.81 63.62 4.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.42 10.92 6.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.795 0.331 . . . . 1.0 110.47 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.02 -32.35 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.636 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -58.4 -44.66 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -67.29 -37.67 83.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.618 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -5.13 85.63 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tp -70.74 -49.34 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 1.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -70.34 -27.18 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.16 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -70.37 -48.33 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -40.42 -44.0 1.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.98 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 101' ' ' VAL . 41.2 pt -83.43 -28.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ALA . 50.6 t30 -107.56 42.81 1.27 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.352 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' ALA . 64.9 tt0 -179.69 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.548 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -63.38 4.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.221 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -37.01 -38.89 0.2 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.86 0.362 . . . . 1.0 111.166 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -64.83 -51.67 60.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 1.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ALA . 72.5 mtt180 -58.67 -38.17 77.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.344 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.05 -8.86 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.445 . . . . 1.0 110.637 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 mm-40 -107.95 -45.28 4.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.867 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -53.76 20.65 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 108.829 -1.708 . . . . 1.0 108.829 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.2 t -56.82 -39.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.31 -7.03 0.49 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.755 0.312 . . . . 1.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' B' ' 64' ' ' LEU . 3.1 t -100.47 -16.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.571 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.655 0.264 . . . . 1.0 110.843 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.1 mp -58.9 -42.98 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.87 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.03 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.447 0.536 . . . . 1.0 112.447 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 38' ' ' VAL . 5.0 m -94.23 -38.15 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 112.089 0.403 . . . . 1.0 112.089 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' LEU . 54.1 t -59.8 -46.31 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.695 0.283 . . . . 1.0 110.84 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.1 -46.29 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 1.0 110.851 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.7 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.726 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.8 t -63.05 -56.49 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.146 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.92 -56.81 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.93 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' C' ' 119' ' ' HIS . 13.2 mt -86.27 -154.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.218 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.23 -161.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 51' ' ' ASP . 7.3 p -157.2 156.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.109 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.5 m-20 -158.24 -141.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -43.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.446 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.867 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.3 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.375 -179.286 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 p -43.92 -27.7 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 1.0 110.057 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.14 92.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.059 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' ILE . 24.7 t -48.25 -40.53 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -49.29 -47.95 46.48 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LEU . 7.6 mp -55.69 -41.12 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.673 ' N ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -76.87 -55.54 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.141 0.495 . . . . 1.0 109.808 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -48.25 -47.88 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.83 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 p -64.69 -64.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 1.0 111.447 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' LEU . 5.0 m -55.48 -24.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.411 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.8 tpp -55.55 -31.28 62.01 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.158 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' C' ' 38' ' ' VAL . 4.1 mm? -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' C' ' 38' ' ' VAL . 2.1 t -66.01 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 108.8 -0.815 . . . . 1.0 108.8 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.4 mtt -66.99 -35.12 79.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.118 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 45.0 mt -60.13 -34.63 57.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.61 -0.436 . . . . 1.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 3.4 p -90.69 -21.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.823 -0.548 . . . . 1.0 110.269 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.52 -60.91 1.66 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.619 0.247 . . . . 1.0 111.439 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' SER . 17.0 mt -65.32 -58.55 6.53 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.379 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -48.74 -42.82 36.51 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.44 -0.504 . . . . 1.0 109.784 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 29.4 m-20 -64.41 -8.05 12.02 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.436 0.636 . . . . 1.0 109.439 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -91.25 -51.3 5.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.923 179.506 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.64 64.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.764 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.08 -36.25 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 119.686 -0.806 . . . . 1.0 109.208 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 9.6 tm-20 -85.42 -29.36 24.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.942 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.526 ' HB2' ' NH1' ' C' ' 92' ' ' ARG . . . -58.84 -55.02 40.56 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.607 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.89 -30.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.38 -24.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.511 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' GLU . 41.2 t0 -83.17 -111.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.907 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 99.6 mtt180 -104.77 -47.46 4.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.888 0.375 . . . . 1.0 110.961 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.787 ' H ' HD12 ' A' ' 82' ' ' ILE . 2.0 mp -39.48 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.761 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.504 ' N ' HG22 ' A' ' 82' ' ' ILE . . . 123.82 40.81 0.44 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.6 p -141.26 80.95 1.76 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.96 0.41 . . . . 1.0 110.392 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -90.36 116.38 28.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.316 179.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -83.72 -26.3 29.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 15.7 p80 -84.23 -51.47 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.762 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -42.37 137.42 2.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.81 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -86.53 46.83 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.197 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.36 166.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.287 -0.725 . . . . 1.0 111.287 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' B' ' 77' ' ' ALA . 0.1 OUTLIER -85.92 -21.47 27.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.67 73.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.306 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' GLY . 14.8 ttpp -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.515 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -42.04 -35.54 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.906 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.99 -39.03 94.66 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.93 -29.14 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.793 0.33 . . . . 1.0 110.908 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.3 -47.18 8.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.138 -0.69 . . . . 1.0 109.138 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.687 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.7 -19.95 19.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.17 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 97' ' ' GLY . 36.3 t -72.01 -57.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.563 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 102' ' ' LEU . 3.8 mm? -71.38 -29.23 64.7 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.067 0.461 . . . . 1.0 110.935 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -28.95 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.286 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -56.51 -41.3 76.46 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.656 0.243 . . . . 1.0 111.656 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.6 pt -61.04 -48.13 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.413 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.72 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.151 -0.62 . . . . 1.0 111.116 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 108' ' ' ALA . 3.0 t -81.14 -74.29 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.209 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -37.83 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.465 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 107' ' ' VAL . 27.1 t -94.88 -83.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.323 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -46.14 -32.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 111.627 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.01 -54.1 39.68 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.2 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.26 -24.58 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.38 -57.53 8.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.78 -46.02 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.936 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.0 mp -57.37 -38.69 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.84 -34.38 73.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.877 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -76.25 -25.08 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.121 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -69.88 -37.15 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 115' ' ' LEU . 4.7 m170 -66.46 -46.61 75.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.7 147.24 45.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.744 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.096 -1.391 . . . . 1.0 110.931 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -75.27 -53.93 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -76.11 136.98 39.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 27.2 m -161.42 129.9 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.6 -32.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.11 42.85 0.03 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -62.05 -34.72 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 1.0 110.569 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.88 -36.52 82.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 77.7 ttt180 -59.91 -42.01 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.538 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -67.17 -50.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.464 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.89 -48.56 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.221 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.58 -33.48 76.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.426 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.17 -41.11 96.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.469 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.43 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.8 63.56 4.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.174 -0.77 . . . . 1.0 111.174 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -128.4 11.03 6.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.787 0.327 . . . . 1.0 110.432 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -58.48 -44.59 89.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -67.26 -37.68 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 -5.3 85.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.4 -49.68 46.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 1.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -70.21 -27.22 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.573 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.78 -28.32 65.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.642 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -70.22 -48.48 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.799 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -40.31 -44.03 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.058 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.612 HG21 HG22 ' A' ' 101' ' ' VAL . 41.3 pt -83.42 -28.57 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.369 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 24' ' ' ALA . 50.7 t30 -107.57 42.69 1.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 30' ' ' ALA . 65.0 tt0 -179.62 -86.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' B' ' 32' ' ' ARG . . . -63.43 4.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.2 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -37.05 -38.81 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.826 0.346 . . . . 1.0 111.187 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -64.96 -51.65 60.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.073 0.463 . . . . 1.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 29' ' ' ALA . 72.4 mtt180 -58.62 -38.2 77.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.364 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -59.99 -8.84 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.03 0.443 . . . . 1.0 110.67 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.493 ' O ' HG23 ' B' ' 38' ' ' VAL . 27.8 mm-40 -107.97 -45.33 4.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 109.89 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.07 -53.79 20.71 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.792 -1.723 . . . . 1.0 108.792 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' B' ' 32' ' ' ARG . 48.1 t -56.7 -39.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.12 -7.07 0.45 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.83 0.347 . . . . 1.0 110.607 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 34' ' ' GLU . 3.1 t -100.48 -16.48 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.631 0.253 . . . . 1.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 ' N ' ' B' ' 40' ' ' LEU . 8.1 mp -58.92 -42.9 90.79 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.898 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.96 85.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.487 0.551 . . . . 1.0 112.487 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.453 HG22 ' O ' ' B' ' 38' ' ' VAL . 5.0 m -94.32 -38.24 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.096 0.406 . . . . 1.0 112.096 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 39' ' ' LEU . 55.0 t -59.75 -46.3 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.992 -0.283 . . . . 1.0 110.834 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.1 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.814 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.82 -39.64 69.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.78 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 32.5 t -63.03 -56.45 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.163 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.94 -56.77 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.953 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 119' ' ' HIS . 13.3 mt -86.3 -154.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.189 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -90.36 -161.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.455 HG22 ' N ' ' B' ' 51' ' ' ASP . 7.3 p -157.12 156.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.455 ' N ' HG22 ' B' ' 50' ' ' VAL . 18.3 m-20 -158.27 -141.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.774 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -42.92 166.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.489 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.878 ' N ' HD13 ' B' ' 53' ' ' ILE . 0.1 OUTLIER -140.33 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.347 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.0 p -43.98 -27.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 1.0 110.084 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.11 -40.15 92.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.047 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 53' ' ' ILE . 24.8 t -48.17 -40.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.424 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -49.51 -47.83 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.286 -0.566 . . . . 1.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.553 HD12 ' N ' ' B' ' 58' ' ' LEU . 7.6 mp -55.7 -41.1 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.077 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' B' ' 59' ' ' ILE . 1.5 mp -76.86 -55.59 10.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.09 0.471 . . . . 1.0 109.789 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.94 34.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.75 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 41.8 p -64.72 -64.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 58' ' ' LEU . 5.0 m -55.43 -24.33 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.436 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 36.2 tpp -55.49 -31.98 62.46 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.498 ' HB2' HG22 ' A' ' 38' ' ' VAL . 4.2 mm? -61.29 -41.55 97.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.68 -0.859 . . . . 1.0 108.68 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.466 HG23 HG11 ' A' ' 38' ' ' VAL . 2.1 t -65.99 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 108.862 -0.792 . . . . 1.0 108.862 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.5 mtt -66.86 -35.03 79.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.099 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' B' ' 71' ' ' LEU . 47.1 mt -60.3 -34.63 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.622 -0.431 . . . . 1.0 109.932 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 3.4 p -90.63 -21.27 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.733 -0.604 . . . . 1.0 110.307 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.57 -61.02 1.63 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.605 0.24 . . . . 1.0 111.456 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 73' ' ' SER . 17.1 mt -65.19 -58.56 6.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.944 -0.302 . . . . 1.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' B' ' 67' ' ' ILE . 0.8 OUTLIER -48.73 -42.8 36.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.861 -179.32 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 29.6 m-20 -64.36 -8.09 11.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.456 0.646 . . . . 1.0 109.483 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.549 ' N ' ' O ' ' B' ' 70' ' ' ILE . 0.7 OUTLIER -91.21 -51.35 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.874 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.63 64.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.758 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.09 -36.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.231 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 80' ' ' ASP . 9.6 tm-20 -85.37 -29.41 24.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.027 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.53 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . . . -58.76 -55.06 39.95 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.617 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 -30.31 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.013 -0.736 . . . . 1.0 109.013 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 83.6 t -82.41 -24.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.192 -0.913 . . . . 1.0 109.514 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' GLU . 41.2 t0 -83.21 -111.57 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.869 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 82' ' ' ILE . 99.6 mtt180 -104.78 -47.42 4.05 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.868 0.366 . . . . 1.0 110.986 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.808 ' H ' HD12 ' B' ' 82' ' ' ILE . 2.0 mp -39.51 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.728 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.514 ' N ' HG22 ' B' ' 82' ' ' ILE . . . 123.69 40.97 0.44 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 88.0 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.951 0.405 . . . . 1.0 110.363 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 0.8 OUTLIER -90.39 116.35 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.258 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.7 -26.27 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.385 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' B' ' 87' ' ' HIS . 15.6 p80 -84.29 -51.36 7.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.788 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -42.5 137.46 2.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.79 -31.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.37 46.75 1.38 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.286 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 167.06 0.42 Allowed Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.533 ' NH1' ' HB2' ' C' ' 77' ' ' ALA . 0.1 OUTLIER -85.91 -21.45 27.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 1.0 109.703 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.68 73.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 97' ' ' GLY . 14.8 ttpp -66.71 -31.9 72.85 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.563 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -41.96 -35.54 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.888 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.98 -39.11 94.71 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -48.03 -29.03 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.937 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.41 -47.14 8.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.67 -20.0 19.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.17 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 97' ' ' GLY . 35.6 t -71.95 -57.91 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.673 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.572 HD22 ' N ' ' B' ' 102' ' ' LEU . 3.8 mm? -71.4 -29.2 64.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.092 0.473 . . . . 1.0 110.906 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.84 -29.03 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -56.45 -41.33 76.29 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.691 0.256 . . . . 1.0 111.691 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 4.6 pt -61.01 -48.25 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.14 -0.624 . . . . 1.0 110.371 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 pt -75.41 -30.69 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 120.226 -0.59 . . . . 1.0 111.209 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.55 HG12 ' N ' ' B' ' 108' ' ' ALA . 3.0 t -81.27 -74.25 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.231 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.55 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -37.88 -27.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.422 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 107' ' ' VAL . 27.8 t -94.92 -82.89 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.292 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mm -46.3 -32.44 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.555 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.03 -54.07 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.32 -24.55 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.37 -57.55 8.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.563 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.83 -45.99 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.857 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 10.0 mp -57.41 -38.65 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -59.86 -34.34 73.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.903 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.28 -25.06 54.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.134 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -69.98 -36.99 75.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' B' ' 115' ' ' LEU . 4.6 m170 -66.5 -46.5 76.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.703 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.83 147.19 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 118.013 -1.437 . . . . 1.0 110.928 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -75.33 -53.93 7.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -76.11 137.03 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 27.1 m -161.41 129.93 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.538 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.66 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.592 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.15 42.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -62.12 -34.76 76.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 1.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.9 -36.46 82.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 77.7 ttt180 -59.95 -41.97 93.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.529 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.22 -50.15 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.82 -48.58 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.228 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.71 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.428 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.22 -41.17 96.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.4 31.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.528 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.77 63.65 4.62 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.162 -0.775 . . . . 1.0 111.162 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -128.43 10.93 6.27 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.749 0.309 . . . . 1.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.07 -32.26 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.676 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -58.45 -44.62 89.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -67.32 -37.57 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.63 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.59 -5.1 85.83 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.66 -49.38 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -70.36 -27.16 64.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.544 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.15 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -70.37 -48.27 57.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -40.35 -43.98 1.86 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.625 HG21 HG22 ' B' ' 101' ' ' VAL . 41.2 pt -83.5 -28.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' C' ' 24' ' ' ALA . 50.9 t30 -107.55 42.74 1.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.41 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' C' ' 30' ' ' ALA . 64.8 tt0 -179.68 -86.09 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.538 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' C' ' 32' ' ' ARG . . . -63.4 4.39 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -37.04 -38.87 0.21 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.891 0.377 . . . . 1.0 111.12 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -64.91 -51.74 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.12 0.486 . . . . 1.0 109.766 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' C' ' 29' ' ' ALA . 72.5 mtt180 -58.48 -38.42 77.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.329 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.87 -8.87 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 1.0 110.658 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.478 ' O ' HG23 ' C' ' 38' ' ' VAL . 27.7 mm-40 -107.97 -45.27 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.87 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.29 -53.49 21.37 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 108.798 -1.721 . . . . 1.0 108.798 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.86 -39.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.995 -0.372 . . . . 1.0 109.995 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.3 -7.12 0.51 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.823 0.344 . . . . 1.0 110.664 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.483 HG11 HG23 ' A' ' 65' ' ' VAL . 2.7 t -100.61 -16.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.377 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.486 ' N ' HD12 ' C' ' 39' ' ' LEU . 11.0 mp -87.98 -56.55 3.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 120.65 0.262 . . . . 1.0 110.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.55 ' N ' HD12 ' C' ' 40' ' ' LEU . 8.1 mp -58.99 -42.89 91.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.91 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.1 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.429 0.529 . . . . 1.0 112.429 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' C' ' 38' ' ' VAL . 4.9 m -94.21 -38.19 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 39' ' ' LEU . 55.1 t -59.81 -46.25 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.883 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 94.2 mt -61.1 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.863 -0.335 . . . . 1.0 110.833 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.83 -39.65 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.698 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 31.8 t -63.05 -56.45 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.124 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.98 -56.72 17.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.99 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' B' ' 119' ' ' HIS . 13.4 mt -86.34 -154.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.206 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.32 -161.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' VAL . . . . . 0.457 HG22 ' N ' ' C' ' 51' ' ' ASP . 7.2 p -157.09 156.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.018 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.457 ' N ' HG22 ' C' ' 50' ' ' VAL . 18.3 m-20 -158.16 -141.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.74 0.305 . . . . 1.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -43.09 166.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.871 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -140.37 24.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.398 -179.319 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 75.9 p -43.92 -27.72 0.38 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.145 0.497 . . . . 1.0 110.124 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.08 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.082 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' C' ' 53' ' ' ILE . 24.9 t -48.13 -40.51 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.442 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.39 -47.91 47.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.182 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.554 ' N ' HD12 ' C' ' 58' ' ' LEU . 7.6 mp -55.7 -41.0 73.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.087 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' C' ' 59' ' ' ILE . 1.5 mp -76.93 -55.59 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.199 0.523 . . . . 1.0 109.747 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.98 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.729 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 35.1 p -64.74 -64.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 1.0 111.39 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 58' ' ' LEU . 5.0 m -55.46 -24.36 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.423 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 36.5 tpp -55.48 -31.87 62.36 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' B' ' 38' ' ' VAL . 4.2 mm? -61.3 -41.6 97.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' B' ' 38' ' ' VAL . 2.1 t -66.02 -36.22 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.88 -0.785 . . . . 1.0 108.88 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.5 mtt -66.88 -34.93 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.12 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 67' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 46.8 mt -60.41 -34.53 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 C-N-CA 120.512 -0.475 . . . . 1.0 109.982 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 3.4 p -90.71 -21.17 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.75 -0.593 . . . . 1.0 110.281 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.68 -60.89 1.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.533 0.206 . . . . 1.0 111.404 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' C' ' 73' ' ' SER . 17.1 mt -65.41 -58.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' C' ' 67' ' ' ILE . 0.8 OUTLIER -48.83 -42.75 37.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.35 -0.54 . . . . 1.0 109.848 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 29.5 m-20 -64.29 -8.2 12.03 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.439 0.637 . . . . 1.0 109.43 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 70' ' ' ILE . 0.7 OUTLIER -91.18 -51.26 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.924 -1.035 . . . . 1.0 109.979 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.56 65.11 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.72 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.415 HG21 HD13 ' C' ' 75' ' ' ILE . 26.6 pt -50.2 -36.26 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.747 -0.781 . . . . 1.0 109.185 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' C' ' 80' ' ' ASP . 9.6 tm-20 -85.34 -29.37 24.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.533 ' HB2' ' NH1' ' B' ' 92' ' ' ARG . . . -58.88 -54.91 41.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.632 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 p -53.97 -30.3 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.993 -0.743 . . . . 1.0 108.993 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.35 -24.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.552 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' C' ' 76' ' ' GLU . 41.0 t0 -83.19 -111.52 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.901 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 99.6 mtt180 -104.85 -47.45 4.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.837 0.351 . . . . 1.0 110.886 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.804 HD12 ' H ' ' C' ' 82' ' ' ILE . 2.0 mp -39.51 161.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.71 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.493 ' N ' HG22 ' C' ' 82' ' ' ILE . . . 123.85 40.86 0.44 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.189 -1.164 . . . . 1.0 110.189 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.917 0.389 . . . . 1.0 110.341 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 0.8 OUTLIER -90.35 116.34 28.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.337 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -83.64 -26.37 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.405 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.521 ' H ' ' CD2' ' C' ' 87' ' ' HIS . 15.5 p80 -84.27 -51.41 7.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.78 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -42.28 137.36 2.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.686 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tp -175.81 -31.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.52 46.83 1.39 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.271 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.4 166.98 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.263 -0.735 . . . . 1.0 111.263 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -85.87 -21.59 27.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.69 73.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -66.81 -31.84 72.74 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.541 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -42.04 -35.47 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 50.3 mtt -73.5 -45.65 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.887 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.89 -39.08 94.84 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.98 -29.09 3.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 1.0 110.948 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.39 -47.17 8.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.59 -20.09 19.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.145 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.887 HG23 ' O ' ' C' ' 97' ' ' GLY . 35.4 t -71.95 -57.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.642 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 102' ' ' LEU . . . . . 0.577 HD22 ' N ' ' C' ' 102' ' ' LEU . 3.8 mm? -71.37 -29.19 64.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.088 0.47 . . . . 1.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -29.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -56.53 -41.22 76.42 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.704 0.261 . . . . 1.0 111.704 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 4.6 pt -61.15 -48.07 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.352 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.66 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.218 -0.593 . . . . 1.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.541 HG12 ' N ' ' C' ' 108' ' ' ALA . 3.0 t -81.22 -74.3 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.217 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.541 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -37.88 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.45 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' C' ' 107' ' ' VAL . 27.9 t -94.92 -83.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.297 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.9 mm -46.22 -32.39 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.662 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.04 -54.03 40.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -55.28 -24.65 29.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.29 -57.58 8.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.91 -45.95 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 10.0 mp -57.4 -38.71 74.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.86 -34.29 72.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.918 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -76.33 -25.01 54.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.133 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 30.6 t -69.9 -37.13 75.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.5 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' C' ' 115' ' ' LEU . 4.6 m170 -66.34 -46.7 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.701 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -72.66 147.19 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.683 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.97 -1.461 . . . . 1.0 110.872 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.49 -6.27 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' THR . 1.9 p-10 -164.94 55.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 m -56.98 85.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' ASN . 28.6 m -162.21 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.92 -11.61 83.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -60.04 -28.52 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 1.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 9' ' ' ARG . 15.3 t -59.74 -39.26 84.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.5 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 8' ' ' THR . 14.8 tpt180 -69.25 -40.51 77.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.96 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mm -61.4 -50.14 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.02 -41.07 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.16 -35.92 81.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.12 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.24 73.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -22.92 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' SER . . . 60.17 9.9 13.23 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 38.71 26.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.332 . . . . 1.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' GLY . 20.6 m -60.48 -40.93 93.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.605 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -50.64 -37.52 41.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -66.94 -36.83 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.14 -28.92 55.12 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.57 -37.62 88.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 1.0 110.554 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.672 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 3.8 mmp_? -68.14 -39.76 82.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.23 69.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.05 -30.42 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.293 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -49.53 67.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.367 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -65.55 -21.69 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 1.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.54 42.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 29.8 tt0 -177.77 -90.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.16 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.91 4.48 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.548 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.46 -33.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.768 0.318 . . . . 1.0 111.189 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.4 -49.83 6.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.035 0.445 . . . . 1.0 110.781 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' NH2' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -63.26 -24.66 67.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.042 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 35' ' ' GLY . 8.3 tp-100 -59.49 -57.48 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.66 -25.64 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.605 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -91.57 -48.62 3.17 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.67 -34.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.802 -0.234 . . . . 1.0 111.02 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -63.31 -72.05 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.761 0.315 . . . . 1.0 110.335 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' VAL . 3.8 p -39.64 -17.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.263 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.9 tp -90.36 -47.07 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 37' ' ' ALA . 83.8 mt -69.02 -34.72 75.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.0 110.526 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -61.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' VAL . 34.3 m -47.76 -38.15 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.933 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 39' ' ' LEU . 16.4 t -55.27 -43.48 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.81 -47.6 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.172 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -39.17 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.362 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 48' ' ' LEU . 41.2 t -60.72 -48.47 81.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.76 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -49.37 -17.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.194 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' CYS . 0.8 OUTLIER 179.6 93.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.86 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.5 90.88 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.7 t -152.02 92.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.38 144.92 34.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.161 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.16 -76.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.597 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 56' ' ' VAL . 21.5 tt -173.2 -36.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 53' ' ' ILE . 60.8 m -34.58 -29.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.709 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.7 tmt_? -79.4 -48.24 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.412 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 53' ' ' ILE . 83.7 t -71.39 -37.68 65.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.172 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 tt -47.82 -49.79 28.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.6 mm? -47.1 -45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.566 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -49.53 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.45 -55.13 14.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.959 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 24.8 p -63.96 -58.29 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 1.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' LEU . 64.1 t -49.95 -29.05 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.578 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.549 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.55 -32.09 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.733 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 67' ' ' ILE . 33.0 mt -68.57 -47.71 66.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.063 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' VAL . 9.8 t -66.23 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.414 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.1 mtt -66.71 -33.21 75.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 64' ' ' LEU . 1.2 tp -47.66 -39.95 7.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.218 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -89.89 -20.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -92.15 -62.35 1.43 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.345 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' SER . 38.8 mt -64.67 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.297 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.15 -43.49 31.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.982 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -64.23 -10.34 22.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.234 0.54 . . . . 1.0 109.718 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t -89.43 -52.48 5.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.338 -0.846 . . . . 1.0 108.855 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.06 70.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.121 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.89 -38.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.276 -0.875 . . . . 1.0 108.948 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ASP . 30.2 mm-40 -85.55 -23.85 27.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.422 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -53.47 57.99 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.454 -0.499 . . . . 1.0 109.91 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.66 -32.01 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.087 -0.708 . . . . 1.0 109.087 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.76 -24.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.041 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 m-20 -79.56 -106.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.161 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 98.5 mtt180 -104.01 -57.62 2.01 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.949 -0.3 . . . . 1.0 110.767 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.826 HG23 ' H ' ' A' ' 83' ' ' GLY . 2.0 tp 161.54 -63.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 124.016 0.823 . . . . 1.0 109.668 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 82' ' ' ILE . . . 58.96 -143.03 45.93 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.66 -0.976 . . . . 1.0 110.66 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.1 p 47.18 -176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 1.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -50.32 115.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 63.0 t80 -83.78 -14.5 51.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' O ' ' O ' ' A' ' 88' ' ' GLU . 70.8 m-70 -55.29 -63.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.093 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 87' ' ' HIS . 34.1 tt0 46.87 104.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.735 0.302 . . . . 1.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 91' ' ' GLY . 2.0 pp -177.93 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.102 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 91' ' ' GLY . 17.8 m -72.45 28.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.304 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.28 169.28 0.03 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.83 -27.97 26.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 1.0 110.102 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.21 74.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.73 -29.14 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.689 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.07 -44.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.313 . . . . 1.0 111.185 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 35.0 mmm -72.46 -45.21 60.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.738 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.38 -39.49 95.86 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.563 -0.615 . . . . 1.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.75 -31.29 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.774 -0.251 . . . . 1.0 111.104 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.3 -48.45 8.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -65.08 -21.21 66.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.615 . . . . 1.0 111.494 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.2 t -64.1 -66.23 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.786 0.327 . . . . 1.0 110.286 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.1 mt -52.67 -45.6 66.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.704 0.764 . . . . 1.0 109.997 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 106' ' ' ILE . 21.0 mt -70.66 -24.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -38.1 -49.61 1.32 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.074 0.464 . . . . 1.0 110.83 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 82.2 mt -66.16 -38.6 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.851 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.8 mt -75.5 -61.94 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 120.492 -0.483 . . . . 1.0 111.613 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.95 HG13 ' H ' ' A' ' 108' ' ' ALA . 7.5 p -50.13 -75.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.359 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.95 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -35.35 -30.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.896 0.332 . . . . 1.0 111.896 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 107' ' ' VAL . 77.7 t -84.86 -76.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.33 -23.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.085 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 74.5 m -58.56 -52.89 63.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.966 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.5 ' CD2' ' O ' ' A' ' 108' ' ' ALA . 4.6 m0 -76.48 -26.95 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.489 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.75 -59.15 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.468 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.18 -42.16 93.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.473 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.83 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 7.8 tp -65.85 -38.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.24 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.77 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 1.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.04 -34.17 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.543 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.17 -17.92 63.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.833 -179.236 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.559 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 52.8 t80 51.84 175.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.32 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.498 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.705 0 CA-C-O 118.039 -1.423 . . . . 1.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.44 -6.28 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.539 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' B' ' 5' ' ' THR . 1.9 p-10 -164.95 55.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.0 m -57.0 85.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.449 ' N ' ' O ' ' B' ' 3' ' ' ASN . 28.5 m -162.18 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.59 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.85 -11.54 83.49 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -60.1 -28.49 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 110.385 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.464 HG23 ' N ' ' B' ' 9' ' ' ARG . 15.4 t -59.63 -39.33 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.513 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.464 ' N ' HG23 ' B' ' 8' ' ' THR . 14.8 tpt180 -69.16 -40.58 78.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.44 -50.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.804 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.1 pt -71.98 -41.06 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.161 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.05 -35.92 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.24 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.17 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -22.79 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.635 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' B' ' 17' ' ' SER . . . 60.05 9.91 12.74 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 38.79 26.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.831 0.348 . . . . 1.0 111.017 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 15' ' ' GLY . 20.4 m -60.39 -40.92 92.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.634 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -50.58 -37.55 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.99 -36.88 83.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.04 -28.94 54.76 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.6 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 1.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.671 ' HE ' ' N ' ' B' ' 22' ' ' ARG . 3.8 mmp_? -68.0 -39.77 83.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.547 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.04 -35.34 69.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -30.38 67.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.328 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.03 -49.65 66.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.585 -0.279 . . . . 1.0 110.364 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -65.36 -21.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.0 110.673 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.57 42.53 1.38 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' B' ' 32' ' ' ARG . 29.7 tt0 -177.72 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.059 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.77 4.43 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.587 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.68 -33.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.782 0.325 . . . . 1.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.42 -49.77 7.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.063 0.459 . . . . 1.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -63.39 -24.47 67.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.001 -179.349 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -41.75 -25.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -91.56 -48.56 3.19 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.69 -34.07 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.797 -0.237 . . . . 1.0 111.05 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -63.26 -72.03 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 1.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.584 ' O ' HG22 ' B' ' 42' ' ' VAL . 3.7 p -39.73 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.298 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.9 tp -90.39 -47.11 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' B' ' 37' ' ' ALA . 83.6 mt -68.95 -34.71 75.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.98 -1.009 . . . . 1.0 110.505 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.87 -61.48 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 38' ' ' VAL . 34.4 m -47.73 -38.07 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.983 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 39' ' ' LEU . 16.3 t -55.3 -43.48 71.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.92 -47.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.171 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.19 66.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' B' ' 48' ' ' LEU . 41.1 t -60.68 -48.42 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.808 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -49.44 -17.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.169 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 46' ' ' CYS . 0.8 OUTLIER 179.69 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.821 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.51 90.98 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.9 t -152.12 92.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.26 144.9 34.93 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.215 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -76.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.609 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 56' ' ' VAL . 21.4 tt -173.09 -36.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' B' ' 53' ' ' ILE . 61.0 m -34.59 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.696 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 53' ' ' ILE . 1.7 tmt_? -79.44 -48.33 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.4 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' B' ' 53' ' ' ILE . 84.4 t -71.35 -37.6 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.188 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.3 tt -47.91 -49.76 28.93 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.519 ' O ' HG23 ' B' ' 62' ' ' VAL . 2.6 mm? -46.98 -45.49 20.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.574 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.65 -49.59 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.357 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -49.51 -55.06 14.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.936 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 24.6 p -63.93 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 1.0 110.344 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 58' ' ' LEU . 65.5 t -49.92 -29.01 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 30.5 ttp -58.58 -32.08 68.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.467 -0.493 . . . . 1.0 109.729 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.426 ' O ' HG22 ' B' ' 67' ' ' ILE . 32.7 mt -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.019 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' B' ' 68' ' ' VAL . 10.3 t -66.18 -37.53 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' B' ' 70' ' ' ILE . 42.9 mtt -66.78 -33.19 75.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.426 HG22 ' O ' ' B' ' 64' ' ' LEU . 1.2 tp -47.65 -39.95 7.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.152 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 65' ' ' VAL . 4.5 p -89.89 -21.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 121.092 -0.243 . . . . 1.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.13 -62.4 1.42 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 121.142 -0.223 . . . . 1.0 111.374 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 38.3 mt -64.61 -59.23 4.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.298 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.23 -43.24 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.186 -0.606 . . . . 1.0 110.085 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -64.33 -10.33 23.58 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.264 0.554 . . . . 1.0 109.734 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.3 t -89.43 -52.45 5.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.304 -0.862 . . . . 1.0 108.875 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.12 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.127 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.88 -38.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 1.0 109.04 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.82 27.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.519 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.54 57.17 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.942 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.57 -32.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.128 -0.693 . . . . 1.0 109.128 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.81 -23.98 9.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.083 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.8 m-20 -79.54 -106.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.124 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.412 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 98.5 mtt180 -103.97 -57.68 2.0 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.793 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.784 HG23 ' H ' ' B' ' 83' ' ' GLY . 1.9 tp 161.57 -63.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.035 0.834 . . . . 1.0 109.665 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.784 ' H ' HG23 ' B' ' 82' ' ' ILE . . . 58.86 -142.88 45.8 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.411 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.7 p 47.02 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 1.0 110.917 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 62.9 t80 -83.76 -14.61 51.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' B' ' 88' ' ' GLU . 72.8 m80 -55.29 -63.24 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.096 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 87' ' ' HIS . 34.1 tt0 46.89 104.34 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.681 0.277 . . . . 1.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 91' ' ' GLY . 2.0 pp -178.01 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.043 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.434 ' N ' HD12 ' B' ' 89' ' ' LEU . 17.6 m -72.47 28.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.314 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.2 169.32 0.03 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -84.8 -27.98 26.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.07 0.462 . . . . 1.0 110.065 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.22 -50.16 74.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.001 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.75 -29.18 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.658 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -39.96 -45.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 1.0 111.212 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 35.4 mmm -72.43 -45.26 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.501 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.35 -39.48 95.9 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.597 -0.601 . . . . 1.0 111.597 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.76 -31.31 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.714 0.293 . . . . 1.0 111.121 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.22 -48.47 8.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -65.09 -21.22 66.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.54 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.2 t -64.18 -66.22 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.56 -45.74 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.752 0.787 . . . . 1.0 109.984 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 106' ' ' ILE . 20.6 mt -70.62 -24.31 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -38.28 -49.45 1.39 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.968 0.413 . . . . 1.0 110.807 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 82.8 mt -66.24 -38.66 82.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.805 -0.634 . . . . 1.0 109.77 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.39 -62.07 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.548 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 108' ' ' ALA . 7.5 p -50.09 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.351 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.945 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -35.51 -30.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' B' ' 107' ' ' VAL . 77.9 t -84.96 -76.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.862 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.27 -23.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.06 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 75.3 m -58.56 -52.89 63.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.986 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' TRP . . . . . 0.501 ' CD2' ' O ' ' B' ' 108' ' ' ALA . 4.6 m0 -76.37 -27.06 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.54 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.77 -59.11 4.6 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.553 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.07 -42.32 94.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.453 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 6.6 tp -66.01 -38.5 88.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.254 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' B' ' 117' ' ' TRP . 36.6 m0 -61.9 -22.73 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 1.0 110.374 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -79.95 -34.2 38.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.97 63.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.87 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.558 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 52.8 t80 51.89 175.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.261 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.497 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 118.005 -1.442 . . . . 1.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.35 -6.39 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' C' ' 5' ' ' THR . 1.9 p-10 -164.94 55.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -57.02 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.453 ' N ' ' O ' ' C' ' 3' ' ' ASN . 28.4 m -162.14 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.683 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.02 -11.44 83.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.369 . . . . 1.0 110.416 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.468 HG23 ' N ' ' C' ' 9' ' ' ARG . 15.4 t -59.75 -39.28 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.468 ' N ' HG23 ' C' ' 8' ' ' THR . 14.8 tpt180 -69.22 -40.53 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mm -61.47 -50.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.06 -41.02 67.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.161 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.09 -35.91 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.203 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.91 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.556 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' C' ' 17' ' ' SER . . . 60.16 9.9 13.22 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 38.69 26.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.978 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 15' ' ' GLY . 20.3 m -60.6 -40.83 93.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -50.59 -37.53 40.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -66.93 -36.9 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -28.79 54.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.68 -37.63 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.763 0.315 . . . . 1.0 110.457 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.673 ' HE ' ' N ' ' C' ' 22' ' ' ARG . 3.8 mmp_? -68.12 -39.84 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.23 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.674 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.29 67.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -49.63 66.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.342 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 pt -65.41 -21.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 1.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -108.53 42.58 1.37 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.522 ' O ' ' NH2' ' C' ' 32' ' ' ARG . 29.8 tt0 -177.7 -90.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.881 0.372 . . . . 1.0 111.122 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.83 4.56 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.633 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.72 -33.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.736 0.303 . . . . 1.0 111.151 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.35 -49.94 6.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.088 0.47 . . . . 1.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -63.3 -24.49 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.05 -179.272 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' C' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.55 12.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.5 -25.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -91.4 -48.64 3.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.59 -34.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 122.809 -0.23 . . . . 1.0 111.026 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -63.26 -72.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 1.0 110.33 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.585 ' O ' HG22 ' C' ' 42' ' ' VAL . 3.8 p -39.69 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.725 -0.671 . . . . 1.0 111.363 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.1 tp -90.5 -46.97 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' C' ' 37' ' ' ALA . 83.7 mt -68.95 -34.81 75.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.504 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.85 -61.37 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.528 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.585 HG22 ' O ' ' C' ' 38' ' ' VAL . 34.4 m -47.84 -38.11 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.92 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 39' ' ' LEU . 16.7 t -55.19 -43.57 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.76 -47.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 1.0 110.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.17 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.34 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' C' ' 48' ' ' LEU . 40.8 t -60.58 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.855 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -49.43 -17.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.178 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' C' ' 46' ' ' CYS . 0.8 OUTLIER 179.67 93.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.854 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.52 90.97 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -152.02 92.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.35 144.92 34.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.27 -76.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' C' ' 56' ' ' VAL . 21.4 tt -173.23 -36.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' C' ' 53' ' ' ILE . 60.3 m -34.68 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.814 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' C' ' 53' ' ' ILE . 1.6 tmt_? -79.47 -48.24 14.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.382 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' C' ' 53' ' ' ILE . 83.3 t -71.42 -37.72 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.133 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' C' ' 57' ' ' LEU . 1.3 tt -47.74 -49.82 27.12 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 2.6 mm? -47.06 -45.37 21.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.611 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.76 -49.51 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.368 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.5 -55.08 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 24.7 p -63.95 -58.32 7.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 64.3 t -49.91 -29.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.574 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.54 -32.09 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.423 ' O ' HG22 ' C' ' 67' ' ' ILE . 32.7 mt -68.6 -47.77 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.023 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.18 -37.62 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.431 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.435 ' O ' ' N ' ' C' ' 70' ' ' ILE . 43.1 mtt -66.69 -33.21 75.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 67' ' ' ILE . . . . . 0.423 HG22 ' O ' ' C' ' 64' ' ' LEU . 1.2 tp -47.71 -39.94 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.131 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.401 ' H ' HG12 ' C' ' 68' ' ' VAL . 4.4 p -89.94 -20.98 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.11 -62.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 121.079 -0.248 . . . . 1.0 111.376 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' C' ' 73' ' ' SER . 39.0 mt -64.51 -59.3 4.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.257 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.22 -43.34 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.296 -0.562 . . . . 1.0 110.076 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.3 -10.35 23.48 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.222 0.534 . . . . 1.0 109.67 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.3 t -89.34 -52.6 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.378 -0.828 . . . . 1.0 108.854 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.06 71.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.113 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.79 -38.25 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.347 -0.842 . . . . 1.0 109.04 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' C' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.88 27.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.027 -0.269 . . . . 1.0 110.474 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.36 -53.45 58.17 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.46 -0.496 . . . . 1.0 109.899 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.6 -32.15 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.73 -24.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 m-20 -79.52 -106.44 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.13 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' C' ' 82' ' ' ILE . 98.4 mtt180 -103.98 -57.62 2.01 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.763 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.794 HG23 ' H ' ' C' ' 83' ' ' GLY . 2.0 tp 161.49 -63.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 124.03 0.831 . . . . 1.0 109.677 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 83' ' ' GLY . . . . . 0.794 ' H ' HG23 ' C' ' 82' ' ' ILE . . . 58.95 -143.01 45.92 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' C' ' 83' ' ' GLY . 23.6 p 47.16 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 1.0 110.935 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.53 1.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.034 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 62.9 t80 -83.75 -14.58 51.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' C' ' 88' ' ' GLU . 70.6 m-70 -55.29 -63.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.155 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 87' ' ' HIS . 34.1 tt0 46.85 104.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.695 0.283 . . . . 1.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 2.0 pp -177.9 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.08 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.433 ' O ' ' O ' ' C' ' 91' ' ' GLY . 17.1 m -72.44 28.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.332 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.32 169.29 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.75 -28.1 26.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.073 0.463 . . . . 1.0 110.142 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.14 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.654 . . . . 1.0 111.09 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -66.74 -29.2 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.67 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.09 -44.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 1.0 111.224 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 35.5 mmm -72.6 -45.22 60.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.27 -39.58 96.08 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.51 -0.636 . . . . 1.0 111.51 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.64 -31.48 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 1.0 111.07 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.19 -48.39 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -65.28 -21.03 66.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.496 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.3 t -64.17 -66.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.743 0.306 . . . . 1.0 110.255 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.6 -45.66 66.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.689 0.757 . . . . 1.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 106' ' ' ILE . 20.5 mt -70.57 -24.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -38.23 -49.42 1.37 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.97 0.414 . . . . 1.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 82.4 mt -66.35 -38.5 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.817 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' C' ' 103' ' ' ILE . 8.1 mt -75.52 -61.97 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.521 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.977 HG13 ' H ' ' C' ' 108' ' ' ALA . 7.5 p -50.22 -74.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.363 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.977 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -35.41 -30.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.905 0.335 . . . . 1.0 111.905 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' C' ' 107' ' ' VAL . 79.8 t -84.79 -77.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.892 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.21 -23.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.072 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 76.3 m -58.52 -52.93 63.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.027 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 112' ' ' TRP . . . . . 0.498 ' CD2' ' O ' ' C' ' 108' ' ' ALA . 4.6 m0 -76.49 -26.89 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.483 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.87 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.48 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.17 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.413 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.71 -30.94 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 6.7 tp -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.214 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 117' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' C' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.79 65.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 1.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 -34.27 38.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.535 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' HIS . . . . . 0.561 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.91 63.93 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.831 -179.27 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.561 ' N ' ' ND1' ' C' ' 119' ' ' HIS . 52.8 t80 51.89 175.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.246 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.501 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.03 -1.428 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.65 -51.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.525 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 2.3 m-20 -77.14 -167.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.64 65.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 6' ' ' GLY . 10.0 t -78.01 -39.04 43.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.587 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 5' ' ' THR . . . -170.16 14.41 0.06 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 1.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 p -58.71 -37.65 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 17.1 mmm180 -57.37 -39.17 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.399 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.28 -48.26 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.86 -49.05 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.185 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.77 -38.02 87.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.4 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -60.73 -30.65 70.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.62 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 -14.6 58.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.804 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.15 1.85 68.13 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.333 -0.707 . . . . 1.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -82.71 -22.22 34.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.534 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -55.49 -29.72 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -52.11 -38.92 58.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.65 -41.98 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.91 -27.2 71.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.19 -49.61 76.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 1.0 110.142 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.44 -37.28 70.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.24 -27.75 62.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -51.59 -30.91 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.823 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CD1' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -47.81 -45.85 30.16 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.973 0.416 . . . . 1.0 110.02 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -60.54 -16.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.372 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.2 m120 -106.66 43.37 1.16 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.37 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.463 179.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' H ' ' CG ' ' A' ' 28' ' ' GLU . . . -60.03 2.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.504 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -40.63 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -89.22 -45.91 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.21 0.528 . . . . 1.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.518 -0.764 . . . . 1.0 109.673 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 36.8 tp60 -59.93 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.508 -0.769 . . . . 1.0 109.96 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.0 -22.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.678 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -93.63 -55.35 1.55 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.868 -0.606 . . . . 1.0 112.216 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.59 -34.46 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 122.343 -0.504 . . . . 1.0 110.666 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -59.65 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.219 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -39.05 -18.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.27 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tt -87.87 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ALA . 4.0 mm? -66.21 -36.64 83.6 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.25 64.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.012 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -89.52 -37.53 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.81 -47.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.521 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -73.23 -47.23 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.478 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -60.52 -39.38 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.604 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.45 -51.41 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.194 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.76 -54.08 50.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.202 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.4 mp -82.84 -170.69 3.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.016 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.2 p-10 -71.53 -122.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.496 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 11.3 p -158.31 149.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.406 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.25 177.04 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 -139.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.726 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -97.73 -28.69 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.381 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.406 ' N ' HD13 ' A' ' 53' ' ' ILE . 36.5 p -38.0 -40.24 0.46 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.854 0.359 . . . . 1.0 111.134 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.06 -40.58 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.061 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ILE . 46.7 t -61.69 -37.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -48.0 -53.05 17.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 62' ' ' VAL . 11.1 tp -49.86 -52.12 35.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 63' ' ' MET . 14.5 mm -61.67 -25.75 37.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.202 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -76.22 -52.25 10.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.282 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m -64.13 -59.57 4.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.999 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 HD13 ' C' ' 103' ' ' ILE . 6.2 p -50.56 -35.54 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.705 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.2 mmt -58.52 -39.24 79.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.19 -37.98 84.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -68.41 -37.05 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.8 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.99 39.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.248 -0.433 . . . . 1.0 112.017 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.7 -23.9 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.083 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 66' ' ' MET . 86.8 t -90.84 -33.23 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 1.0 110.443 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' MET . 28.1 tp10 -94.76 -51.9 4.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.071 -178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 8.9 tt -67.55 -53.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 70' ' ' ILE . 2.2 tp -54.17 -35.59 62.45 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.124 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' O ' ' OE1' ' C' ' 88' ' ' GLU . 55.3 t30 -72.76 -12.67 61.1 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.235 0.541 . . . . 1.0 109.763 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -91.5 -52.16 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.411 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.66 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.5 pp -52.84 -40.0 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.699 -0.8 . . . . 1.0 109.587 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 80' ' ' ASP . 21.1 tt0 -82.39 -23.92 34.7 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.33 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.0 -51.58 69.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.8 t -52.88 -32.7 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.18 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.62 -24.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.111 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 63.0 m-20 -78.1 -102.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 60.5 ttt-85 -100.78 -10.0 21.2 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.8 tt 34.93 98.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.919 0.39 . . . . 1.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.77 -178.86 15.58 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 p 58.35 38.33 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 110.468 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.14 -71.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.655 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.477 ' O ' HD21 ' A' ' 89' ' ' LEU . 72.7 m-85 -51.51 -16.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.54 -10.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' B' ' 72' ' ' ASN . 87.7 mt-10 -125.15 87.63 2.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.695 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 86' ' ' TYR . 19.3 mt -101.7 -23.18 14.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.359 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -74.17 36.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.99 167.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.475 ' CD ' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -86.31 -22.49 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.55 -50.28 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.8 -29.27 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.12 -40.24 2.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.852 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 96' ' ' MET . 2.2 mpp? -70.56 -43.72 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -63.14 -36.54 93.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.14 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.717 0.294 . . . . 1.0 110.836 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.17 -50.28 4.89 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -55.34 -26.11 38.82 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.76 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 97' ' ' GLY . 25.1 t -69.39 -59.2 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.897 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.1 mt -50.42 -44.19 55.1 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.007 -0.677 . . . . 1.0 110.589 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 9.7 pt -78.55 -26.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 1.0 111.315 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . . . -36.79 -48.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.956 0.408 . . . . 1.0 110.852 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 80.2 mt -69.39 -38.51 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.985 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.9 mt -75.14 -61.44 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.505 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 108' ' ' ALA . 13.5 p -47.6 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 121.083 -0.247 . . . . 1.0 111.04 -178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.873 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -39.55 -26.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.84 0.291 . . . . 1.0 111.422 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' VAL . 99.4 t -92.84 -81.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.19 -37.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.289 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 14.4 m -59.15 -49.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.884 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.8 -31.22 69.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.135 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.73 -58.81 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.262 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 114' ' ' ILE . 1.2 mp -67.43 -39.89 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.4 tp -55.69 -31.03 62.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -67.67 -30.91 70.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.917 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -56.99 -20.65 25.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 120' ' ' PHE . 8.2 t -59.84 -29.98 68.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.287 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -0.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.728 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 118' ' ' SER . 70.5 t80 -81.91 -93.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.408 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.219 -0.788 0 CA-C-O 118.036 -1.424 . . . . 1.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.58 -51.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.413 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 2.3 m-20 -77.29 -167.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.494 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.62 65.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.448 HG23 ' N ' ' B' ' 6' ' ' GLY . 10.0 t -78.06 -38.97 43.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.448 ' N ' HG23 ' B' ' 5' ' ' THR . . . -170.2 14.41 0.06 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.48 -33.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.302 . . . . 1.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -58.81 -37.56 76.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 17.1 mmm180 -57.47 -39.15 75.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.26 -48.23 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.308 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -61.95 -49.05 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.174 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.75 -38.01 87.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.406 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -60.71 -30.69 70.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.604 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 -14.67 58.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.786 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.1 1.84 67.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -82.71 -22.31 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 1.0 110.497 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -55.4 -29.8 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.646 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -51.97 -38.97 58.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -57.73 -41.86 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.08 -27.1 70.89 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.498 HD13 ' O ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -61.16 -49.6 76.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 1.0 110.162 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.37 -37.34 69.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.672 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.71 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.93 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.427 ' CD1' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -47.92 -45.72 31.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.997 0.427 . . . . 1.0 110.055 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.63 -16.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.7 43.42 1.16 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.379 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 0.4 OUTLIER 171.36 -93.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.527 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.421 ' H ' ' CG ' ' B' ' 28' ' ' GLU . . . -60.08 2.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.527 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -40.5 -29.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.891 0.377 . . . . 1.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -89.24 -45.91 9.18 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 110.167 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -65.84 -22.47 66.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.711 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.427 ' OE1' ' CD1' ' B' ' 25' ' ' TRP . 36.8 tp60 -59.99 -62.08 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.921 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.06 -22.43 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.349 -0.54 . . . . 1.0 110.606 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.453 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -93.59 -55.25 1.57 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.29 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.74 -34.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 122.368 -0.489 . . . . 1.0 110.543 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -59.6 -64.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.229 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.492 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -38.98 -18.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.272 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.2 tt -87.72 -54.44 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 178.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' ALA . 4.0 mm? -65.95 -36.8 84.34 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.445 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.22 65.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 38' ' ' VAL . 44.2 t -89.49 -37.57 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.84 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.7 -48.04 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.476 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.591 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -73.17 -47.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.495 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.591 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -60.53 -39.43 87.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.579 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 39.2 t -64.38 -51.45 63.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.259 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.71 -54.03 50.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.258 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 48' ' ' LEU . 10.4 mp -82.96 -170.65 3.13 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.3 p-10 -71.56 -122.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.464 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.428 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 11.3 p -158.27 149.2 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.374 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.29 177.07 7.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -97.8 -28.46 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.398 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.4 p -38.23 -40.18 0.49 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.819 0.342 . . . . 1.0 111.091 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.05 -40.51 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.11 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' B' ' 53' ' ' ILE . 46.6 t -61.77 -37.1 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.654 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 57' ' ' LEU . 0.4 OUTLIER -48.14 -53.01 18.19 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 62' ' ' VAL . 11.1 tp -49.85 -52.05 35.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.984 -0.746 . . . . 1.0 108.984 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' B' ' 63' ' ' MET . 14.6 mm -61.76 -25.7 37.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.17 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.26 -52.19 10.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.291 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 44.1 m -64.17 -59.62 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.963 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.519 HG21 HD13 ' A' ' 103' ' ' ILE . 6.2 p -50.49 -35.59 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.7 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' B' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.21 79.4 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.3 -37.84 84.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -37.1 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.801 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.513 ' O ' ' N ' ' B' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.96 39.88 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.274 -0.421 . . . . 1.0 112.035 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.72 -23.85 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 119.868 -0.733 . . . . 1.0 110.154 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 66' ' ' MET . 87.5 t -90.83 -33.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 1.0 110.38 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 66' ' ' MET . 28.1 tp10 -94.65 -51.81 4.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 112.17 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 8.9 tt -67.57 -53.29 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.432 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' B' ' 70' ' ' ILE . 2.2 tp -54.18 -35.63 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.142 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' A' ' 88' ' ' GLU . 55.2 t30 -72.73 -12.58 61.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.244 0.545 . . . . 1.0 109.752 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.469 ' O ' ' N ' ' B' ' 77' ' ' ALA . 0.3 OUTLIER -91.56 -52.2 4.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.362 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.66 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.324 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.5 pp -52.77 -40.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 119.782 -0.767 . . . . 1.0 109.643 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 21.2 tt0 -82.41 -23.92 34.64 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.03 -51.49 69.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.449 -0.575 . . . . 1.0 109.449 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.95 -32.62 18.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.278 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 41.4 t -85.67 -24.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 62.6 m-20 -78.04 -102.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.139 0.422 . . . . 1.0 112.139 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 82' ' ' ILE . 60.4 ttt-85 -100.71 -10.04 21.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.933 0.346 . . . . 1.0 111.933 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.94 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 121.017 0.437 . . . . 1.0 111.3 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.68 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 58.11 38.5 26.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 1.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.21 -71.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.476 ' O ' HD21 ' B' ' 89' ' ' LEU . 72.8 m-85 -51.4 -16.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -56.62 -10.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 72' ' ' ASN . 87.8 mt-10 -125.09 87.61 2.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.476 HD21 ' O ' ' B' ' 86' ' ' TYR . 19.1 mt -101.75 -23.13 14.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.364 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.19 36.94 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.97 167.74 0.08 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.681 -0.967 . . . . 1.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -86.3 -22.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.302 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.41 71.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.74 -29.26 69.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.2 -40.16 2.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.886 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' B' ' 96' ' ' MET . 2.2 mpp? -70.59 -43.72 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLY . . . . . 0.493 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -63.12 -36.53 93.58 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.1 8.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.615 0.245 . . . . 1.0 110.785 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.27 -50.29 4.85 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -55.37 -26.05 38.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.738 -178.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 97' ' ' GLY . 25.0 t -69.48 -59.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.45 -44.17 55.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.065 -0.654 . . . . 1.0 110.567 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 106' ' ' ILE . 9.8 pt -78.55 -26.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.253 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.69 -48.76 0.73 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.927 0.394 . . . . 1.0 110.859 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 109' ' ' VAL . 80.3 mt -69.41 -38.47 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.995 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.11 -61.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.446 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.866 HG13 ' H ' ' B' ' 108' ' ' ALA . 13.4 p -47.54 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 121.169 -0.212 . . . . 1.0 111.046 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.866 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -39.48 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.815 0.279 . . . . 1.0 111.476 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 107' ' ' VAL . 99.4 t -92.89 -81.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.912 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.16 -37.26 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.235 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 14.4 m -59.09 -49.86 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.815 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.026 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 74.5 m -65.74 -58.71 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.2 mp -67.42 -39.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.766 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.61 -31.05 61.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.56 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -67.7 -30.95 70.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.857 179.398 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.96 -20.63 24.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.106 0.479 . . . . 1.0 110.296 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' SER . . . . . 0.436 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.2 t -59.81 -30.02 68.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.279 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -0.63 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.81 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' B' ' 118' ' ' SER . 70.7 t80 -81.85 -93.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.584 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.404 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.071 -1.405 . . . . 1.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.68 -51.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' C' ' 3' ' ' ASN . 2.3 m-20 -77.11 -167.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.52 65.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.537 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.455 HG23 ' N ' ' C' ' 6' ' ' GLY . 9.9 t -77.99 -39.01 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.628 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' GLY . . . . . 0.455 ' N ' HG23 ' C' ' 5' ' ' THR . . . -170.16 14.39 0.06 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -64.41 -33.19 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 1.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 50.3 p -58.8 -37.57 76.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 17.1 mmm180 -57.42 -39.14 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.351 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.3 -48.27 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.306 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.9 -49.0 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.174 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.83 -37.99 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -60.73 -30.66 70.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.697 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.15 1.84 68.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.368 -0.693 . . . . 1.0 111.368 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -82.72 -22.25 34.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 28.2 t -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -51.99 -39.01 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -57.64 -41.92 82.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.04 -27.14 70.9 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.492 ' O ' HD13 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -61.2 -49.62 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 1.0 110.133 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.37 -37.27 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.2 -27.74 62.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.667 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.79 -30.7 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.847 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' OE1' ' C' ' 33' ' ' GLN . 0.0 OUTLIER -47.9 -45.82 31.06 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.893 0.378 . . . . 1.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.54 -16.62 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.66 43.35 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.347 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' C' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.55 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' C' ' 28' ' ' GLU . . . -60.15 2.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.508 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -40.63 -28.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 1.0 111.179 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -89.25 -45.95 9.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.154 0.502 . . . . 1.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.88 -22.38 66.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.683 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' C' ' 25' ' ' TRP . 36.8 tp60 -60.03 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.949 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.03 -22.42 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.606 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.45 ' O ' HG12 ' C' ' 38' ' ' VAL . . . -93.61 -55.29 1.56 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.961 -0.563 . . . . 1.0 112.303 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.6 -34.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 117.144 0.472 . . . . 1.0 110.576 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -59.55 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.258 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.508 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -39.04 -18.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.277 -178.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.2 tt -87.86 -54.18 4.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' C' ' 37' ' ' ALA . 4.0 mm? -66.17 -36.7 83.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.486 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.17 -24.1 64.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.996 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.508 HG23 ' O ' ' C' ' 38' ' ' VAL . 43.9 t -89.59 -37.54 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.765 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 43' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 39' ' ' LEU . 45.3 t -56.84 -47.82 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.537 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -73.29 -47.16 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -60.43 -39.47 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.628 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.42 -51.41 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.83 -53.96 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.54 HD12 ' N ' ' C' ' 48' ' ' LEU . 10.4 mp -82.98 -170.7 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.972 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.3 p-10 -71.5 -122.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.505 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' VAL . . . . . 0.426 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 11.3 p -158.27 149.13 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.366 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 177.17 7.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.61 -139.49 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.0 OUTLIER -97.82 -28.63 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.321 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 36.6 p -37.98 -40.38 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 1.0 111.1 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -78.98 -40.58 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.088 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' C' ' 53' ' ' ILE . 46.9 t -61.79 -37.08 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.61 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.516 HD13 ' O ' ' C' ' 57' ' ' LEU . 0.4 OUTLIER -48.04 -53.02 17.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.466 ' O ' HG12 ' C' ' 62' ' ' VAL . 11.1 tp -49.92 -52.12 35.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' C' ' 63' ' ' MET . 14.5 mm -61.64 -25.66 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.301 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.3 -52.13 10.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 -59.62 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.956 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 62' ' ' VAL . . . . . 0.496 HG21 HD13 ' B' ' 103' ' ' ILE . 6.3 p -50.58 -35.54 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.676 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 63' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' C' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.16 79.25 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.979 -0.378 . . . . 1.0 109.979 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.38 -37.88 83.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.03 -0.73 . . . . 1.0 109.03 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.45 -37.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.76 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' MET . . . . . 0.517 ' O ' ' N ' ' C' ' 69' ' ' GLU . 7.3 mmt -66.45 -53.08 39.52 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.069 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 pt -44.62 -23.93 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 119.96 -0.696 . . . . 1.0 110.16 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' C' ' 66' ' ' MET . 87.4 t -90.79 -33.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 1.0 110.392 178.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 69' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' C' ' 66' ' ' MET . 28.2 tp10 -94.72 -51.83 4.54 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.165 -0.471 . . . . 1.0 112.102 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' C' ' 71' ' ' LEU . 8.8 tt -67.54 -53.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.559 -0.456 . . . . 1.0 110.427 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' C' ' 70' ' ' ILE . 2.2 tp -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.048 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' ASN . . . . . 0.412 ' O ' ' OE1' ' B' ' 88' ' ' GLU . 55.1 t30 -72.72 -12.57 61.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.201 0.524 . . . . 1.0 109.752 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 73' ' ' SER . . . . . 0.466 ' O ' ' N ' ' C' ' 77' ' ' ALA . 0.3 OUTLIER -91.53 -52.13 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.37 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.01 -51.68 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.286 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.6 pp -52.73 -40.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.738 -0.785 . . . . 1.0 109.658 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' C' ' 80' ' ' ASP . 21.2 tt0 -82.37 -23.95 34.72 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.333 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.02 -51.55 69.22 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -52.92 -32.6 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.82 -24.17 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.579 -0.737 . . . . 1.0 111.012 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 80' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.0 m-20 -78.16 -102.87 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 81' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' C' ' 82' ' ' ILE . 60.4 ttt-85 -100.74 -10.01 21.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.916 0.339 . . . . 1.0 111.916 -178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 82' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 35.01 97.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.95 0.405 . . . . 1.0 111.378 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.0 p 58.22 38.47 26.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 1.0 110.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.3 -71.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' TYR . . . . . 0.481 ' O ' HD21 ' C' ' 89' ' ' LEU . 72.9 m-85 -51.37 -16.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.539 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.65 -10.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 72' ' ' ASN . 87.9 mt-10 -125.08 87.62 2.74 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.858 0.361 . . . . 1.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 89' ' ' LEU . . . . . 0.481 HD21 ' O ' ' C' ' 86' ' ' TYR . 19.1 mt -101.75 -23.1 14.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.37 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.32 36.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 57.04 167.68 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' C' ' 92' ' ' ARG . 0.0 OUTLIER -86.28 -22.51 26.77 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.43 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.399 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -66.81 -29.31 69.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -42.11 -40.22 2.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.854 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' C' ' 96' ' ' MET . 2.1 mpp? -70.59 -43.76 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.03 -36.6 93.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 43.7 t -48.44 -33.1 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.754 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.3 -50.19 4.89 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -55.43 -26.06 39.73 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 25.0 t -69.38 -59.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 32.3 mt -50.3 -44.26 53.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.569 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' C' ' 106' ' ' ILE . 9.8 pt -78.5 -26.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.301 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -36.75 -48.73 0.74 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.857 0.36 . . . . 1.0 110.873 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 105' ' ' ILE . . . . . 0.43 ' O ' HG23 ' C' ' 109' ' ' VAL . 80.3 mt -69.28 -38.56 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.992 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 106' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' C' ' 103' ' ' ILE . 7.9 mt -75.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.497 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.861 HG13 ' H ' ' C' ' 108' ' ' ALA . 13.4 p -47.62 -71.92 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.72 -0.218 . . . . 1.0 111.036 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 108' ' ' ALA . . . . . 0.861 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -39.56 -26.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.831 0.287 . . . . 1.0 111.492 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 109' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' C' ' 107' ' ' VAL . 99.5 t -92.92 -81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.94 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.09 -37.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.307 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 14.2 m -59.08 -49.85 76.31 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.892 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.71 -31.34 69.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.097 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.75 -58.76 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.248 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.2 mp -67.41 -39.98 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.741 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 36.2 tp -55.6 -31.12 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' LEU . . . . . 0.551 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -67.61 -31.01 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 1.0 109.921 179.386 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.85 -20.68 24.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.232 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.434 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.3 t -59.87 -29.95 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.279 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -0.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.8 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 120' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' C' ' 118' ' ' SER . 70.1 t80 -81.95 -93.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' GLY . . . . . 0.4 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.087 0.47 . . . . 1.0 110.201 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 27' ' ' ASN . 36.5 t-20 -107.79 43.31 1.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.915 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 18.2 tt0 164.59 -70.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.474 0.484 . . . . 1.0 110.229 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.0 2.51 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.426 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.64 -30.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.816 0.341 . . . . 1.0 111.44 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.49 -48.64 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 1.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.73 66.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.146 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 33' ' ' GLN . 1.5 tm0? -59.38 -59.5 5.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.529 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 61.8 tt0 -47.72 -22.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.07 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.74 -53.49 1.53 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.68 -0.568 . . . . 1.0 111.68 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.3 -45.17 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.605 0.24 . . . . 1.0 110.601 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.62 -60.1 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 42' ' ' VAL . 96.5 t -38.44 -19.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.3 tp -87.24 -52.77 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.45 -0.945 . . . . 1.0 108.45 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ALA . 13.9 mt -66.98 -36.13 81.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.819 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.2 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.418 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 38' ' ' VAL . 22.8 t -83.11 -38.01 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.905 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.0 t -51.84 -48.08 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.468 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG21 HD21 ' C' ' 115' ' ' LEU . 61.7 mt -74.49 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.53 -43.59 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 1.0 110.373 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.84 -48.69 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.74 -45.93 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.043 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 tp -173.36 132.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -157.61 108.42 2.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -154.91 51.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 114' ' ' ILE . 6.2 m-20 -84.29 -172.2 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' C' ' 53' ' ' ILE . . . -82.98 2.92 32.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' B' ' 52' ' ' ALA . 3.8 mt 69.51 -2.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.164 0.507 . . . . 1.0 110.41 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 m -43.69 -37.94 2.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' ' OG1' ' C' ' 111' ' ' THR . 37.6 ttt180 -48.12 -39.28 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 1.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.44 -43.77 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.661 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.0 tt -49.55 -55.71 12.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.496 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.34 -43.07 64.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' MET . 96.6 mt -67.66 -54.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.749 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.7 -43.9 47.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.089 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.4 m -64.06 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 1.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.23 -28.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.457 ' O ' HG23 ' A' ' 67' ' ' ILE . 39.7 ttp -58.75 -30.19 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.02 -41.35 96.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.11 -39.06 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.264 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ILE . 34.7 mtt -54.32 -49.91 68.58 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.519 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -51.02 -22.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.11 -0.636 . . . . 1.0 109.678 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 5.7 t -91.32 -27.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.756 0.312 . . . . 1.0 110.601 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' O ' ' OG ' ' A' ' 73' ' ' SER . 56.7 mt-10 -97.28 -55.54 2.81 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.025 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' SER . 15.5 mt -63.97 -59.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.87 -36.81 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.903 -0.719 . . . . 1.0 109.608 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 9.8 m-20 -69.62 -10.92 60.18 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 m -90.56 -51.62 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.35 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.0 -51.43 68.08 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 76' ' ' GLU . 15.3 tt -49.74 -45.88 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.554 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 80' ' ' ASP . 65.8 tt0 -80.72 -22.86 39.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.973 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.14 -53.93 52.71 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.452 -0.499 . . . . 1.0 110.3 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.97 -32.63 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 1.0 109.433 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.82 -24.06 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.783 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 t0 -78.17 -103.55 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 85.1 mtt-85 -98.43 -10.51 23.55 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.6 tt 34.23 98.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.14 0.495 . . . . 1.0 111.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.09 56.83 0.5 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.731 -0.948 . . . . 1.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p -54.73 170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.0 110.674 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.5 161.44 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.17 -19.13 34.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.53 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.62 -26.06 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.062 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -44.6 121.99 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 1.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER 177.64 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.97 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.1 p -70.52 39.74 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.45 169.06 0.06 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.599 -1.0 . . . . 1.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.0 25.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.235 0.54 . . . . 1.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.34 63.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.6 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.62 -27.56 67.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.733 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -44.73 -37.8 3.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -71.89 -45.67 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.968 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.05 -36.7 93.33 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.64 -32.6 8.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.775 0.322 . . . . 1.0 111.047 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.08 -46.63 10.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.88 -20.68 24.43 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.884 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 97' ' ' GLY . 20.2 t -66.7 -58.28 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.32 -49.99 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.452 -0.499 . . . . 1.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.71 ' O ' HG22 ' A' ' 107' ' ' VAL . 35.1 pt -79.13 -25.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -40.85 -44.54 2.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.007 0.432 . . . . 1.0 109.918 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.6 mt -69.09 -38.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.536 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 17.7 mt -74.92 -63.76 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.945 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.951 -178.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.609 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.54 -32.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.952 0.406 . . . . 1.0 111.392 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.9 t -89.27 -75.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.6 mm -50.23 -33.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.525 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.468 ' OG1' ' NH2' ' B' ' 55' ' ' ARG . 3.5 t -58.95 -44.13 91.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.442 ' N ' ' CG2' ' A' ' 111' ' ' THR . 47.3 t90 -76.34 -29.11 57.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.31 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.32 -58.38 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.921 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 115' ' ' LEU . 2.3 pp -62.7 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.891 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 114' ' ' ILE . 14.6 tp -57.55 -37.29 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.56 -41.57 96.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.743 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.04 -20.4 16.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.154 0.502 . . . . 1.0 109.743 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 m -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.02 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -62.85 -37.62 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.53 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.059 0.456 . . . . 1.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.83 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 27' ' ' ASN . 36.4 t-20 -107.83 43.33 1.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.923 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 18.1 tt0 164.52 -70.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.526 0.516 . . . . 1.0 110.298 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.05 2.65 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.389 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.75 -30.33 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.777 0.323 . . . . 1.0 111.448 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.51 -48.62 7.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.199 0.524 . . . . 1.0 110.793 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.79 66.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.443 ' C ' ' NE2' ' B' ' 33' ' ' GLN . 1.5 tm0? -59.32 -59.57 5.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.512 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 61.5 tt0 -47.72 -22.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.086 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.81 -53.44 1.53 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.671 -0.572 . . . . 1.0 111.671 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.33 -45.11 18.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.557 0.217 . . . . 1.0 110.634 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.62 -60.16 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 42' ' ' VAL . 95.8 t -38.35 -19.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.388 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.6 tp -87.28 -52.71 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 37' ' ' ALA . 13.9 mt -66.97 -36.15 81.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.17 62.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.397 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 38' ' ' VAL . 22.6 t -83.17 -37.98 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.81 -48.16 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.399 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.434 HG21 HD21 ' A' ' 115' ' ' LEU . 61.8 mt -74.53 -46.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.765 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.73 55.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.336 . . . . 1.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 69.0 m -57.83 -48.68 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.63 -46.12 39.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.976 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 53.1 tp -173.25 132.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.258 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -157.39 108.4 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -154.96 51.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 114' ' ' ILE . 6.1 m-20 -84.41 -172.29 4.09 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' ILE . . . -82.86 2.9 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' C' ' 52' ' ' ALA . 3.8 mt 69.46 -2.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.203 0.525 . . . . 1.0 110.417 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.2 m -43.83 -37.87 3.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.468 ' NH2' ' OG1' ' A' ' 111' ' ' THR . 37.3 ttt180 -48.17 -39.18 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 1.0 110.608 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.47 -43.84 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.692 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.512 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.1 tt -49.56 -55.68 12.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.214 -0.594 . . . . 1.0 110.452 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.36 -43.05 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.934 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 63' ' ' MET . 96.6 mt -67.7 -54.9 19.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.735 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.9 p -49.8 -43.82 48.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.123 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 74.6 m -64.05 -63.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 1.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.26 -28.25 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.476 ' N ' ' O ' ' B' ' 59' ' ' ILE . 39.8 ttp -58.63 -30.25 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.11 -41.32 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.704 -0.851 . . . . 1.0 108.704 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.17 -38.97 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.261 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.7 mtt -54.33 -49.89 68.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.571 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.454 HG23 ' O ' ' B' ' 63' ' ' MET . 0.1 OUTLIER -51.06 -22.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.657 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 5.6 t -91.27 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.592 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.427 ' O ' ' OG ' ' B' ' 73' ' ' SER . 56.6 mt-10 -97.16 -55.7 2.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.53 -0.304 . . . . 1.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 15.3 mt -63.88 -59.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.076 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.85 -36.78 49.56 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.633 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 9.9 m-20 -69.56 -10.97 60.37 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.4 m -90.57 -51.64 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.242 -0.89 . . . . 1.0 109.36 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -51.57 67.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.821 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 15.2 tt -49.6 -45.99 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.512 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 80' ' ' ASP . 65.4 tt0 -80.64 -22.9 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.977 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.14 -53.99 51.98 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.189 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.92 -32.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.473 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -85.73 -24.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.834 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.9 t0 -78.21 -103.58 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.16 0.429 . . . . 1.0 112.16 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 82' ' ' ILE . 85.0 mtt-85 -98.4 -10.54 23.58 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.819 0.303 . . . . 1.0 111.819 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.6 tt 34.31 98.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 121.061 0.458 . . . . 1.0 111.601 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.11 56.82 0.5 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.58 170.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.321 . . . . 1.0 110.74 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.42 161.42 14.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.23 -19.0 34.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.507 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.75 -26.01 56.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.035 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.45 121.96 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.682 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER 177.6 -44.02 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.992 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.9 p -70.53 39.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 55.39 169.1 0.06 OUTLIER Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.588 -1.005 . . . . 1.0 110.588 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -87.33 -21.99 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.096 0.474 . . . . 1.0 109.773 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -51.46 63.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.647 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.52 -27.54 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.79 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.81 -37.76 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.885 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' B' ' 96' ' ' MET . 0.1 OUTLIER -71.98 -45.56 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.581 -0.448 . . . . 1.0 109.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.13 -36.73 93.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -48.56 -32.63 8.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.729 0.3 . . . . 1.0 111.031 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.17 -46.61 10.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.746 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.84 -20.68 24.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.934 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 97' ' ' GLY . 20.4 t -66.69 -58.32 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.31 -50.01 65.84 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.45 -0.5 . . . . 1.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.729 ' O ' HG22 ' B' ' 107' ' ' VAL . 35.2 pt -79.07 -25.92 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -40.89 -44.56 2.33 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.467 ' O ' HG23 ' B' ' 109' ' ' VAL . 67.9 mt -69.07 -38.46 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.504 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' B' ' 103' ' ' ILE . 17.6 mt -74.92 -63.9 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.729 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.2 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.911 -178.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.618 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.44 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.946 0.403 . . . . 1.0 111.363 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.4 t -89.24 -75.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.771 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 mm -50.18 -33.82 10.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.574 -0.285 . . . . 1.0 111.56 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.468 ' OG1' ' CZ ' ' C' ' 55' ' ' ARG . 3.5 t -59.11 -44.0 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.475 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . 0.441 ' N ' ' CG2' ' B' ' 111' ' ' THR . 47.1 t90 -76.3 -29.14 57.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.312 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.31 -58.28 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.024 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.481 HD12 ' N ' ' B' ' 115' ' ' LEU . 2.3 pp -62.82 -42.58 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.933 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.481 ' N ' HD12 ' B' ' 114' ' ' ILE . 14.5 tp -57.67 -37.06 72.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.79 -41.45 95.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.78 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -56.13 -20.4 17.39 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 8.8 m -57.61 -29.32 64.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.027 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.84 -37.7 87.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.552 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 121.056 0.455 . . . . 1.0 110.152 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.66 -13.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' C' ' 27' ' ' ASN . 36.4 t-20 -107.75 43.27 1.22 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.847 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' C' ' 27' ' ' ASN . 18.4 tt0 164.56 -70.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.443 0.465 . . . . 1.0 110.248 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 2.6 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.458 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.79 -30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.811 0.338 . . . . 1.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.62 -48.62 7.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.471 . . . . 1.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.74 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 1.0 110.12 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.452 ' C ' ' NE2' ' C' ' 33' ' ' GLN . 1.5 tm0? -59.45 -59.5 5.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.454 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 62.3 tt0 -47.76 -22.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.042 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.8 -53.43 1.53 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.719 -0.552 . . . . 1.0 111.719 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.4 -45.08 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.491 0.186 . . . . 1.0 110.588 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.6 -60.09 4.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.543 ' O ' HG23 ' C' ' 42' ' ' VAL . 95.2 t -38.51 -19.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.426 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.2 tp -87.23 -52.68 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.498 -0.927 . . . . 1.0 108.498 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' C' ' 37' ' ' ALA . 13.9 mt -67.06 -36.15 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.175 -0.92 . . . . 1.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.55 -24.11 62.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.421 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 38' ' ' VAL . 22.8 t -83.19 -38.05 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.903 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.68 -48.18 37.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.428 HG21 HD21 ' B' ' 115' ' ' LEU . 62.3 mt -74.52 -46.06 43.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.728 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.61 55.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.411 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -48.8 -45.94 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.039 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 52.8 tp -173.3 132.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.335 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -157.54 108.47 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.425 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.94 51.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.788 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 114' ' ' ILE . 6.1 m-20 -84.29 -172.27 4.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' B' ' 53' ' ' ILE . . . -82.88 2.87 32.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.58 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.8 mt 69.49 -2.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.501 . . . . 1.0 110.374 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 8.9 m -43.66 -37.99 2.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.468 ' CZ ' ' OG1' ' B' ' 111' ' ' THR . 37.2 ttt180 -48.12 -39.32 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.01 0.433 . . . . 1.0 110.583 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.29 -43.91 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 1.0 111.655 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.516 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.1 tt -49.62 -55.66 12.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.466 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.33 -43.04 64.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' C' ' 63' ' ' MET . 96.6 mt -67.76 -54.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.79 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.69 -43.91 47.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.156 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 74.3 m -64.05 -63.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.344 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.11 -28.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.627 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.444 ' N ' ' O ' ' C' ' 59' ' ' ILE . 39.8 ttp -58.68 -30.24 67.22 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.11 -41.34 96.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -67.11 -38.98 82.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.249 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.471 ' O ' ' N ' ' C' ' 70' ' ' ILE . 34.7 mtt -54.47 -49.83 69.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.511 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.439 HG23 ' O ' ' C' ' 63' ' ' MET . 0.1 OUTLIER -51.09 -22.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.073 -0.651 . . . . 1.0 109.689 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 5.6 t -91.3 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.736 0.303 . . . . 1.0 110.639 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' C' ' 73' ' ' SER . 56.6 mt-10 -97.17 -55.63 2.79 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.029 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' C' ' 66' ' ' MET . 15.5 mt -63.96 -59.3 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.04 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.82 -36.76 49.14 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.645 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 9.8 m-20 -69.68 -10.88 60.02 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.471 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 m -90.49 -51.71 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.415 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.56 67.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.834 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.483 HG23 ' N ' ' C' ' 76' ' ' GLU . 15.2 tt -49.63 -46.0 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.512 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 80' ' ' ASP . 65.9 tt0 -80.61 -22.89 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.17 -53.95 52.47 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.259 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.96 -32.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.71 -24.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.711 . . . . 1.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 t0 -78.1 -103.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 82' ' ' ILE . 85.2 mtt-85 -98.47 -10.57 23.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.6 tt 34.43 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.086 0.47 . . . . 1.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.0 56.85 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.72 170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 1.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.41 161.4 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.672 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.21 -19.12 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.484 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.7 -26.05 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.56 122.04 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 1.0 110.645 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.8 OUTLIER 177.58 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.033 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 22.2 p -70.49 39.64 0.05 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.46 169.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.01 25.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 1.0 109.792 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.43 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.688 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -66.49 -27.67 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.675 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.73 -37.83 4.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' C' ' 96' ' ' MET . 0.1 OUTLIER -71.9 -45.53 60.93 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.028 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.78 93.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.49 -32.69 8.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 111.108 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.12 -46.59 10.3 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.144 -0.688 . . . . 1.0 109.144 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.95 -20.66 24.82 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.859 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.76 -58.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.46 -49.85 66.55 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.149 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.713 ' O ' HG22 ' C' ' 107' ' ' VAL . 35.4 pt -79.02 -25.93 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -40.96 -44.53 2.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.461 ' O ' HG23 ' C' ' 109' ' ' VAL . 67.9 mt -68.98 -38.56 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.893 -0.594 . . . . 1.0 109.521 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' C' ' 103' ' ' ILE . 17.8 mt -74.92 -63.81 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.864 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.713 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.8 OUTLIER -48.9 -70.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.944 -178.048 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.604 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.42 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.927 0.394 . . . . 1.0 111.326 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 44.0 t -89.26 -75.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.811 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 20.8 mm -50.34 -33.74 10.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.595 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.47 ' OG1' ' NH2' ' A' ' 55' ' ' ARG . 3.5 t -58.99 -44.13 91.58 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.464 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . 0.451 ' N ' ' CG2' ' C' ' 111' ' ' THR . 46.8 t90 -76.33 -29.12 57.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.29 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 13.2 t -65.34 -58.33 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.484 HD12 ' N ' ' C' ' 115' ' ' LEU . 2.3 pp -62.73 -42.68 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.86 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.484 ' N ' HD12 ' C' ' 114' ' ' ILE . 14.6 tp -57.68 -37.03 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.88 -41.39 95.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.738 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.19 -20.39 17.79 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 8.4 m -57.57 -29.36 64.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.012 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.71 -37.86 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.671 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.26 141.63 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.497 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 118.019 -1.434 . . . . 1.0 110.932 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 120.849 0.357 . . . . 1.0 110.506 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.652 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.2 -61.99 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.456 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.4 mm-40 -126.83 -48.38 1.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.657 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -57.79 -2.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -39.15 -22.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.259 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 29.6 p90 -84.73 -42.75 14.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 1.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 68.1 ttt180 -62.42 -33.07 74.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.65 -64.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 1.0 109.234 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -44.54 -35.18 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.518 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.55 -58.44 8.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.4 t -49.13 -35.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.502 -0.349 . . . . 1.0 110.108 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -7.26 15.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.749 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.3 t -96.59 -24.09 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.331 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.95 -62.56 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.752 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -49.62 -42.37 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.51 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HE ' ' A' ' 55' ' ' ARG . . . -61.88 -34.91 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.0 t -81.94 -41.56 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.31 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 72.3 t -50.18 -44.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 1.0 110.278 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 pt -74.04 -43.13 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.341 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.35 -46.48 72.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.666 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.86 -48.6 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 10.8 m0 -54.06 -35.22 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.14 103.15 0.37 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.18 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.28 102.0 11.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.944 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 m -150.87 23.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.4 102.08 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.4 -23.3 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.042 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.9 -40.07 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HE ' ' HB1' ' A' ' 41' ' ' ALA . 62.2 ttt-85 -78.87 -47.9 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.408 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -52.93 -47.54 52.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.378 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -48.62 44.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 4.6 tp -49.73 -52.14 33.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.22 -34.59 67.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.0 110.434 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -57.2 -56.26 24.09 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.139 -0.689 . . . . 1.0 109.139 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.42 -52.48 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' LEU . 79.0 t -56.43 -48.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.046 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.11 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.564 -0.454 . . . . 1.0 109.969 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.78 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.298 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.08 -33.25 62.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.39 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -49.64 -27.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.045 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -82.73 -43.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.339 . . . . 1.0 111.224 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ASN . 11.7 mm-40 -91.15 -74.69 0.49 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.4 mp -36.73 -55.89 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.507 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -49.15 -41.75 37.34 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.688 -0.805 . . . . 1.0 110.057 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' GLU . 12.4 m-20 -76.08 -10.89 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 1.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 6.5 p -89.8 -55.97 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.292 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.16 -52.66 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.573 -0.74 . . . . 1.0 109.758 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.657 HG23 HG22 ' C' ' 78' ' ' VAL . 1.2 mp -51.06 -49.09 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.77 -27.2 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.849 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.37 -51.17 70.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.667 -0.413 . . . . 1.0 109.973 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG22 HG23 ' B' ' 75' ' ' ILE . 2.1 t -53.33 -31.25 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.696 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.56 -24.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.062 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -82.6 -111.3 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.741 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 82' ' ' ILE . 93.7 mtt-85 -105.95 -36.71 6.89 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.882 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.3 tt 36.42 97.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.343 0.592 . . . . 1.0 111.298 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.36 -144.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 1.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.85 178.99 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 49.2 t80 -83.86 -16.04 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.763 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 1.3 m80 -79.51 -10.79 59.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 89' ' ' LEU . 19.3 tt0 -76.17 27.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 mp -106.99 -22.63 12.6 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.442 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 10.3 m -69.4 35.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.115 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.23 170.46 0.03 OUTLIER Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.619 -0.992 . . . . 1.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -88.77 -20.43 24.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 1.0 109.846 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -51.14 63.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.667 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.12 -29.8 69.64 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.148 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.9 mtt -74.13 -45.15 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.464 -0.494 . . . . 1.0 109.837 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -61.43 -39.07 96.78 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.1 t -49.25 -27.61 3.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.0 110.571 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.16 -45.63 10.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.89 41.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLY . 63.5 t -70.76 -62.45 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.721 0.296 . . . . 1.0 111.714 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 102' ' ' LEU . 9.4 mp -51.85 -47.69 64.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.2 0.524 . . . . 1.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 106' ' ' ILE . 13.4 pt -73.09 -21.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.145 -0.622 . . . . 1.0 110.903 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -37.1 -49.6 0.88 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.91 0.386 . . . . 1.0 110.646 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 109' ' ' VAL . 16.2 tt -70.12 -38.87 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.086 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 103' ' ' ILE . 28.6 mt -68.52 -35.33 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.741 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 109' ' ' VAL . 61.3 t -65.24 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.49 -28.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.539 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 107' ' ' VAL . 48.5 t -92.63 -83.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.716 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.8 mm -45.18 -34.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.041 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -62.46 -41.17 98.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.45 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -68.81 -26.33 65.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.458 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.8 -58.85 5.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.421 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -67.21 -40.3 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.624 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.38 -42.6 78.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.543 -0.539 . . . . 1.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.67 -42.25 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.28 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -49.26 -24.91 2.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -26.71 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.09 -12.68 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.549 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.73 0.3 . . . . 1.0 110.523 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.15 -62.04 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.438 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 14.3 mm-40 -126.82 -48.28 1.51 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -57.84 -2.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -39.18 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.319 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 29.8 p90 -84.65 -42.88 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.182 0.515 . . . . 1.0 110.061 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 69.0 ttt180 -62.4 -33.03 73.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.427 -0.806 . . . . 1.0 109.825 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.63 -64.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.202 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -44.57 -35.1 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.528 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.67 -58.34 8.59 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.8 t -49.14 -35.21 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.364 . . . . 1.0 110.124 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -7.23 15.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.47 ' O ' HG23 ' B' ' 42' ' ' VAL . 40.5 t -96.64 -24.06 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.412 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.88 -62.58 1.44 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.546 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -49.48 -42.49 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.512 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.446 ' HB1' ' HE ' ' B' ' 55' ' ' ARG . . . -61.89 -34.87 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 38' ' ' VAL . 88.9 t -81.99 -41.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.268 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' B' ' 47' ' ' TRP . 72.1 t -50.08 -44.45 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.389 . . . . 1.0 110.349 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.9 pt -74.14 -43.07 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.356 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.53 72.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.87 -48.6 78.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.438 ' CD1' ' O ' ' B' ' 43' ' ' VAL . 10.7 m0 -54.14 -35.16 61.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.362 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.18 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.127 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.24 102.0 11.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.002 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.85 23.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.117 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.23 102.07 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.68 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.56 -87.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 1.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 pt -135.51 -23.17 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.055 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -40.0 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.446 ' HE ' ' HB1' ' B' ' 41' ' ' ALA . 62.1 ttt-85 -78.92 -47.87 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.397 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 t -52.86 -47.59 51.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.354 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.22 -48.59 45.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.42 ' O ' HG23 ' B' ' 62' ' ' VAL . 4.6 tp -49.75 -52.07 34.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.22 -34.63 67.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.975 0.417 . . . . 1.0 110.388 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -57.33 -56.06 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.33 -52.58 57.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.973 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 58' ' ' LEU . 79.2 t -56.45 -48.57 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.998 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.03 -47.88 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.555 -0.458 . . . . 1.0 109.977 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.79 -48.81 77.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.06 -33.31 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.685 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.17 -50.53 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.5 mt -49.61 -27.62 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.068 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.85 -43.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 72' ' ' ASN . 11.8 mm-40 -91.06 -74.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' B' ' 73' ' ' SER . 1.4 mp -36.68 -55.93 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.517 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.93 -42.06 35.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.738 -0.785 . . . . 1.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 69' ' ' GLU . 12.1 m-20 -75.9 -10.95 59.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 1.0 110.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' B' ' 74' ' ' ALA . 6.6 p -89.71 -56.02 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.3 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.495 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.2 -52.62 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.762 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.655 HG23 HG22 ' A' ' 78' ' ' VAL . 1.2 mp -51.06 -48.98 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.726 -0.842 . . . . 1.0 108.726 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -69.91 -27.23 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.24 -51.23 70.65 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.057 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.652 HG22 HG23 ' C' ' 75' ' ' ILE . 2.1 t -53.36 -31.28 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.653 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.49 -24.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.143 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.51 -111.42 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' B' ' 82' ' ' ILE . 93.4 mtt-85 -105.9 -36.6 6.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.908 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.3 tt 36.47 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.307 0.575 . . . . 1.0 111.304 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.35 -144.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.764 0.316 . . . . 1.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.85 178.97 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.66 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 49.1 t80 -83.88 -15.99 46.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 1.4 m80 -79.49 -10.88 59.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.88 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.471 ' C ' HD12 ' B' ' 89' ' ' LEU . 19.2 tt0 -76.11 27.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 mp -106.99 -22.74 12.57 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.452 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 9.6 m -69.31 35.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 1.0 111.216 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.27 170.47 0.03 OUTLIER Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.61 -20.59 24.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.084 0.469 . . . . 1.0 109.957 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.17 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.635 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -67.29 -29.72 69.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.99 -38.64 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.143 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.21 -45.03 50.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.882 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -61.5 -39.09 96.85 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 30.8 t -49.3 -27.56 3.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.322 . . . . 1.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.04 -45.63 10.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -21.77 42.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.666 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 97' ' ' GLY . 62.4 t -70.74 -62.42 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.74 0.305 . . . . 1.0 111.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 102' ' ' LEU . 9.4 mp -51.88 -47.65 64.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.211 0.529 . . . . 1.0 111.066 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 106' ' ' ILE . 13.3 pt -73.16 -21.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.919 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.93 -49.71 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.025 0.441 . . . . 1.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 109' ' ' VAL . 16.1 tt -70.08 -38.88 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.106 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 103' ' ' ILE . 28.7 mt -68.47 -35.45 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.728 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 109' ' ' VAL . 61.3 t -65.08 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.929 0.395 . . . . 1.0 110.018 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.52 -28.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.501 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' B' ' 107' ' ' VAL . 48.6 t -92.74 -83.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.656 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.13 -34.92 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.043 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 19.4 m -62.41 -41.2 98.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.461 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -68.8 -26.34 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 60.2 m -64.72 -58.94 4.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.461 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.62 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.39 -42.54 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.73 -42.28 67.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.29 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -49.11 -25.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.635 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.04 -12.65 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.658 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.507 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.827 0.346 . . . . 1.0 110.506 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.21 -13.37 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.621 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.16 -61.93 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.442 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' C' ' 30' ' ' ALA . 14.4 mm-40 -126.92 -48.27 1.49 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -57.81 -2.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.769 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -39.08 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.316 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 29.5 p90 -84.73 -42.83 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.18 0.514 . . . . 1.0 109.994 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 68.9 ttt180 -62.48 -33.02 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.7 -64.26 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.2 OUTLIER -44.58 -35.11 2.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.564 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.59 -58.42 8.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.1 -35.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.458 -0.371 . . . . 1.0 110.17 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -7.35 15.92 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.463 ' O ' HG23 ' C' ' 42' ' ' VAL . 40.5 t -96.57 -24.13 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.34 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.87 -62.66 1.42 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.705 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.539 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.9 OUTLIER -49.53 -42.41 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.524 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . 0.45 ' HB1' ' HE ' ' C' ' 55' ' ' ARG . . . -61.93 -34.84 76.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 38' ' ' VAL . 89.9 t -82.01 -41.58 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.272 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' C' ' 47' ' ' TRP . 71.4 t -50.06 -44.52 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 1.0 110.366 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 pt -73.98 -43.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.383 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.49 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.8 -48.68 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.494 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' C' ' 43' ' ' VAL . 10.8 m0 -53.98 -35.33 61.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.339 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.17 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.119 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.33 102.04 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.949 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.92 23.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.059 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.34 102.09 3.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.48 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 pt -135.47 -23.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.89 -40.14 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' HB1' ' C' ' 41' ' ' ALA . 61.9 ttt-85 -78.89 -47.82 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.416 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 t -52.87 -47.68 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.09 -48.68 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 62' ' ' VAL . 4.6 tp -49.72 -52.01 34.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.28 -34.66 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 120.906 0.384 . . . . 1.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.1 m -57.12 -56.24 24.31 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.203 -0.665 . . . . 1.0 109.203 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 36.2 t -64.52 -52.42 57.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 58' ' ' LEU . 78.9 t -56.55 -48.59 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.003 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -57.99 -47.82 81.85 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.011 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.77 -48.77 77.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.17 -33.17 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -49.59 -27.58 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.056 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.85 -43.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 1.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 72' ' ' ASN . 11.8 mm-40 -90.99 -74.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.035 -0.357 . . . . 1.0 110.035 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' C' ' 73' ' ' SER . 1.4 mp -36.69 -55.94 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.692 -0.686 . . . . 1.0 110.469 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -49.12 -41.83 37.25 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.664 -0.814 . . . . 1.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 69' ' ' GLU . 12.4 m-20 -75.91 -10.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' C' ' 74' ' ' ALA . 7.0 p -89.77 -55.96 3.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.356 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.17 -52.68 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.722 . . . . 1.0 109.718 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.652 HG23 HG22 ' B' ' 78' ' ' VAL . 1.2 mp -50.97 -49.19 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.81 -27.14 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.805 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.4 -51.24 70.64 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 75' ' ' ILE . 2.1 t -53.33 -31.23 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-N 115.526 -0.761 . . . . 1.0 109.678 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.57 -24.22 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.111 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.49 -111.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.708 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 82' ' ' ILE . 93.3 mtt-85 -105.84 -36.76 6.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.936 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.3 tt 36.48 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.304 0.573 . . . . 1.0 111.354 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.3 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.11 100.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 1.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.86 179.0 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 49.3 t80 -83.83 -16.03 46.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 1.3 m80 -79.56 -10.8 59.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.466 ' C ' HD12 ' C' ' 89' ' ' LEU . 19.2 tt0 -76.18 27.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.945 0.402 . . . . 1.0 110.446 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 mp -107.02 -22.63 12.59 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.48 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 91' ' ' GLY . 10.4 m -69.34 35.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.28 170.44 0.03 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.75 -20.46 24.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.025 0.441 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.07 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.641 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.26 -29.73 69.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.794 -0.362 . . . . 1.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.03 -38.64 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.164 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 30.2 mtt -74.13 -45.08 51.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.446 -0.502 . . . . 1.0 109.882 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -61.57 -38.98 96.72 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.211 -1.156 . . . . 1.0 110.211 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -27.63 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 1.0 110.625 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.0 -45.69 10.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.67 -21.76 42.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.608 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 97' ' ' GLY . 62.8 t -70.76 -62.48 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.698 0.285 . . . . 1.0 111.685 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 102' ' ' LEU . 9.4 mp -51.84 -47.72 64.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.208 0.528 . . . . 1.0 111.036 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 106' ' ' ILE . 13.3 pt -73.07 -21.35 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.861 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -37.04 -49.58 0.85 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.022 0.439 . . . . 1.0 110.672 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' C' ' 109' ' ' VAL . 16.1 tt -70.17 -38.93 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.004 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' C' ' 103' ' ' ILE . 28.3 mt -68.4 -35.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.769 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' C' ' 109' ' ' VAL . 60.5 t -65.12 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.56 -28.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.54 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' C' ' 107' ' ' VAL . 48.7 t -92.67 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.7 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.19 -34.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.006 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 19.3 m -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -68.91 -26.29 65.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.423 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.73 -58.93 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.45 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.411 ' H ' HG22 ' C' ' 114' ' ' ILE . 0.0 OUTLIER -67.2 -40.27 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.635 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.38 -42.64 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.72 -42.26 67.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.245 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -49.07 -24.93 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.629 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -68.1 -12.72 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.568 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 75.8 t80 -55.83 170.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.01 -1.439 . . . . 1.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 111.804 0.298 . . . . 1.0 111.804 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.89 -30.26 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.86 0.362 . . . . 1.0 110.177 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.19 44.13 1.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.811 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -179.9 -86.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.043 0.449 . . . . 1.0 110.669 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -70.35 4.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ALA . . . -36.13 -32.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.707 0.289 . . . . 1.0 111.709 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ALA . 37.6 t80 -95.72 -43.18 8.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.882 0.372 . . . . 1.0 111.089 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.9 -27.51 67.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 1.0 109.531 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.0 tp60 -59.97 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.049 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -41.98 -22.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.551 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.62 -48.32 3.0 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.248 -0.741 . . . . 1.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.95 -41.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.315 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -57.01 -62.92 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.9 t -35.22 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.528 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -89.91 -49.76 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 70.6 mt -65.04 -35.49 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.749 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB1' ' NH2' ' A' ' 55' ' ' ARG . . . -69.78 -25.2 63.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.113 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.4 t -78.72 -38.6 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -49.49 -47.91 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.193 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -74.25 -44.18 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.31 -48.77 46.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.675 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.36 -46.18 89.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.54 -49.07 79.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.432 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.26 101.77 4.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.295 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.64 96.58 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.663 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 51' ' ' ASP . 47.6 t -147.53 -98.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.397 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' VAL . 4.6 p-10 40.24 95.27 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.762 0.315 . . . . 1.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.71 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.769 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.692 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -49.1 -28.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.205 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.12 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.101 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' NH2' ' HB1' ' A' ' 41' ' ' ALA . 69.6 ttt180 -79.91 -48.08 14.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.77 -37.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.041 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.02 -46.07 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.22 -51.11 56.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.438 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 77.2 mt -66.02 -53.56 36.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.058 0.456 . . . . 1.0 110.148 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 m -46.42 -50.54 16.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.069 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.5 t -64.18 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.689 0.281 . . . . 1.0 111.688 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.8 -32.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.156 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 10.9 tmm? -62.03 -42.07 98.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.593 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.72 -50.71 63.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.952 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 93.7 t -60.86 -36.63 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.869 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLU . 19.8 mtt -57.32 -49.99 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.045 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.7 mt -44.34 -24.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 1.0 110.154 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.68 -31.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 1.0 111.254 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -95.22 -47.92 6.14 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.095 0.405 . . . . 1.0 112.095 -178.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.0 pt -69.86 -50.83 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 70' ' ' ILE . 5.8 tp -49.91 -40.76 44.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.358 -0.537 . . . . 1.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.515 HD22 ' H ' ' C' ' 85' ' ' GLU . 4.5 m120 -75.36 -12.48 60.27 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.8 t -89.92 -56.33 3.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.064 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.87 65.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.117 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 71' ' ' LEU . 11.3 tt -51.16 -43.41 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.625 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 84.1 mt-10 -80.95 -23.66 38.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.583 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.85 -52.88 63.64 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.983 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 75' ' ' ILE . 3.5 p -53.37 -31.67 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.8 t -85.27 -24.01 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.677 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.5 m-20 -77.36 -103.82 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.024 0.379 . . . . 1.0 112.024 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 82' ' ' ILE . 63.1 mtp180 -100.37 -8.84 22.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.669 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.0 tt 34.4 99.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 1.0 111.846 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -133.67 -69.22 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.45 -1.06 . . . . 1.0 110.45 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.5 m 42.07 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.97 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' H ' HD22 ' B' ' 72' ' ' ASN . 87.4 mt-10 -51.15 127.44 19.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.51 -16.11 46.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.727 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.4 m-70 -76.09 -63.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.536 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' HIS . 8.8 pt-20 26.54 47.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.636 0.585 . . . . 1.0 112.339 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.867 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.5 pt? -103.72 -22.09 13.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.625 0.25 . . . . 1.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 38.7 t -73.3 32.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.766 0.317 . . . . 1.0 110.898 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.99 168.66 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.574 -1.01 . . . . 1.0 110.574 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.419 ' O ' ' SD ' ' A' ' 96' ' ' MET . 22.5 ptt180 -85.85 -24.97 26.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 1.0 109.734 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -52.1 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLY . 66.8 tttt -67.47 -29.57 69.06 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.1 -38.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.643 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.72 -43.88 71.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.221 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.56 -36.73 92.84 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -33.95 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.711 -0.288 . . . . 1.0 111.348 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.54 5.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.45 59.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.0 t -69.91 -65.45 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.395 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.15 -47.45 68.75 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.551 0.691 . . . . 1.0 110.262 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' VAL . 1.4 tp -68.25 -18.3 23.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.409 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -47.87 -49.58 29.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.777 0.322 . . . . 1.0 110.924 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.13 -41.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.228 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.78 -30.45 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.717 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 108' ' ' ALA . 2.7 t -80.91 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 121.159 -0.217 . . . . 1.0 110.544 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -36.84 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 1.0 111.458 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' VAL . 26.1 t -92.44 -81.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.386 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.52 -34.72 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 115' ' ' LEU . 31.0 m -61.53 -54.13 47.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.684 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.81 -27.57 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 1.0 110.431 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 52.8 m -65.67 -57.98 6.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.029 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.412 HD13 ' N ' ' B' ' 55' ' ' ARG . 29.0 mt -65.71 -38.08 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.662 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 111' ' ' THR . 3.8 mp -53.71 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.54 -36.11 73.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.778 -0.452 . . . . 1.0 109.778 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.01 -22.67 16.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.046 0.45 . . . . 1.0 110.26 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.97 -30.93 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.187 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.52 -32.86 73.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.9 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.59 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.862 0.319 . . . . 1.0 111.862 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.93 -30.26 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-O 120.85 0.357 . . . . 1.0 110.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.16 44.16 1.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.853 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -179.87 -86.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 1.0 110.652 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -70.4 4.93 1.99 Allowed 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.315 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 29' ' ' ALA . . . -36.11 -32.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.66 0.267 . . . . 1.0 111.687 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 29' ' ' ALA . 37.5 t80 -95.77 -43.17 8.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.023 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -66.84 -27.53 67.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.26 0.552 . . . . 1.0 109.63 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' B' ' 35' ' ' GLY . 53.8 tp60 -59.92 -63.54 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.185 -0.916 . . . . 1.0 109.099 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -42.06 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.598 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.59 -48.42 2.98 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -48.0 -41.37 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 121.0 -0.28 . . . . 1.0 110.289 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.94 -62.99 1.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.579 ' O ' HG23 ' B' ' 42' ' ' VAL . 2.9 t -35.33 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.52 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 37' ' ' ALA . 12.7 mt -89.85 -49.61 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' B' ' 37' ' ' ALA . 71.6 mt -65.14 -35.55 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.763 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' NH2' ' B' ' 55' ' ' ARG . . . -69.7 -25.19 63.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.7 t -78.73 -38.6 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.771 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -49.41 -48.01 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.704 -0.398 . . . . 1.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -74.23 -44.13 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.705 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.79 46.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.633 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.19 -46.36 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.296 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -60.44 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.439 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.25 101.73 4.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.319 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.71 96.79 10.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' ASP . 47.9 t -147.7 -98.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' B' ' 50' ' ' VAL . 4.6 p-10 40.15 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 179.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.749 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.692 ' N ' HD13 ' B' ' 53' ' ' ILE . 0.1 OUTLIER -49.24 -27.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.225 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.1 3.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 1.0 110.141 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' HB1' ' B' ' 41' ' ' ALA . 69.7 ttt180 -79.89 -48.06 14.07 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.385 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.83 -37.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -49.92 -46.0 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 58' ' ' LEU . 16.8 mt -51.34 -51.02 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.456 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' B' ' 63' ' ' MET . 76.3 mt -65.94 -53.59 36.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-O 121.185 0.516 . . . . 1.0 110.234 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.7 m -46.41 -50.54 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t -64.17 -63.99 1.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 1.0 111.605 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.69 -32.53 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.116 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' B' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.09 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.634 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -65.61 -50.77 63.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.052 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.424 ' O ' ' OE2' ' B' ' 69' ' ' GLU . 93.6 t -60.87 -36.56 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.874 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' GLU . 19.6 mtt -57.45 -49.89 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.769 -0.651 . . . . 1.0 109.975 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -44.44 -24.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 1.0 110.147 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' B' ' 66' ' ' MET . 11.1 t -91.73 -31.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -48.02 6.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -178.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 4.1 pt -69.95 -50.65 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.073 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 70' ' ' ILE . 5.9 tp -50.1 -40.64 46.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.337 -0.545 . . . . 1.0 109.769 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' GLU . 4.4 m120 -75.38 -12.48 60.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.9 t -89.99 -56.28 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.051 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.59 -51.87 65.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.438 HG22 ' O ' ' B' ' 71' ' ' LEU . 11.3 tt -51.06 -43.5 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.783 -0.644 . . . . 1.0 109.584 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 83.9 mt-10 -80.9 -23.69 38.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.616 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.99 63.19 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.457 -0.497 . . . . 1.0 110.0 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 75' ' ' ILE . 3.5 p -53.31 -31.65 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.182 -0.674 . . . . 1.0 109.182 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.29 -24.03 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.662 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 63.6 m-20 -77.27 -103.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.075 0.398 . . . . 1.0 112.075 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 82' ' ' ILE . 63.4 mtp180 -100.29 -8.85 22.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.72 0.266 . . . . 1.0 111.72 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.0 tt 34.44 99.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.981 0.419 . . . . 1.0 111.902 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -133.61 -69.24 0.08 OUTLIER Glycine 0 N--CA 1.467 0.743 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.6 m 41.93 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 1.0 111.017 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.534 ' H ' HD22 ' C' ' 72' ' ' ASN . 87.3 mt-10 -51.16 127.43 19.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.48 -16.16 46.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' B' ' 88' ' ' GLU . 3.3 m-70 -76.1 -63.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.619 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 87' ' ' HIS . 8.7 pt-20 26.54 48.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.938 -0.574 . . . . 1.0 112.28 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.872 HD23 ' H ' ' B' ' 89' ' ' LEU . 1.5 pt? -103.92 -21.93 13.56 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.693 0.283 . . . . 1.0 111.264 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 91' ' ' GLY . 39.7 t -73.31 32.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 1.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.05 168.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.518 -1.033 . . . . 1.0 110.518 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.426 ' O ' ' SD ' ' B' ' 96' ' ' MET . 22.5 ptt180 -85.83 -25.1 26.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.92 -52.12 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 97' ' ' GLY . 66.9 tttt -67.48 -29.48 68.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.59 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.3 -38.57 1.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.582 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' B' ' 96' ' ' MET . 0.2 OUTLIER -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 179.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.53 -36.76 92.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.8 t -48.56 -33.8 10.31 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.717 -0.284 . . . . 1.0 111.371 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.05 -50.51 5.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.16 -21.41 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.191 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.1 t -69.96 -65.48 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.343 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.02 -47.58 68.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.535 0.683 . . . . 1.0 110.281 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.4 tp -68.14 -18.37 23.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.486 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -47.76 -49.66 27.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.86 0.362 . . . . 1.0 110.948 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.1 -41.39 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.212 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.75 -30.39 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.696 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.584 HG12 ' N ' ' B' ' 108' ' ' ALA . 2.7 t -80.94 -74.73 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.41 -0.219 . . . . 1.0 110.41 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.584 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -36.75 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.488 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 107' ' ' VAL . 26.1 t -92.41 -81.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.408 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -48.57 -34.68 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.43 ' O ' HD13 ' B' ' 115' ' ' LEU . 30.9 m -61.62 -54.11 47.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.386 -0.526 . . . . 1.0 110.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.78 -27.6 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.385 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 55.1 m -65.7 -57.92 6.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.035 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.416 HD13 ' N ' ' C' ' 55' ' ' ARG . 28.4 mt -65.77 -38.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.666 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.43 HD13 ' O ' ' B' ' 111' ' ' THR . 3.9 mp -53.73 -30.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.64 -36.04 73.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.13 -22.51 17.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -59.07 -30.94 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.205 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -68.49 -32.82 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.592 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 92.9 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.9 -30.18 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 120.897 0.38 . . . . 1.0 110.156 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -108.18 44.15 1.14 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.807 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -179.89 -86.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.087 0.47 . . . . 1.0 110.68 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -70.43 5.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.297 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 29' ' ' ALA . . . -36.1 -32.1 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.729 0.299 . . . . 1.0 111.707 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' C' ' 29' ' ' ALA . 37.9 t80 -95.77 -43.16 8.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.1 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.93 -27.5 67.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' C' ' 35' ' ' GLY . 54.0 tp60 -59.89 -63.63 1.23 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.32 -0.854 . . . . 1.0 109.068 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -42.13 -22.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.585 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.61 -48.36 2.99 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.97 -41.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.295 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.94 -62.89 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.573 ' O ' HG23 ' C' ' 42' ' ' VAL . 2.9 t -35.3 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.458 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' C' ' 37' ' ' ALA . 12.9 mt -89.82 -49.81 6.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' C' ' 37' ' ' ALA . 71.9 mt -64.96 -35.59 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.712 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' NH2' ' C' ' 55' ' ' ARG . . . -69.68 -25.19 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.7 t -78.68 -38.64 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.745 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -49.44 -47.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 54.8 mt -74.15 -44.24 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.697 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.76 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.681 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.43 -46.12 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 84.9 mt -139.28 101.81 4.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.63 96.7 10.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' C' ' 51' ' ' ASP . 47.8 t -147.67 -98.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 50' ' ' VAL . 4.6 p-10 40.21 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.766 0.317 . . . . 1.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 179.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.695 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.694 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -49.28 -27.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.152 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.32 -37.04 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.097 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.473 ' NH2' ' HB1' ' C' ' 41' ' ' ALA . 69.4 ttt180 -79.95 -48.17 13.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.297 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.72 -37.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.03 -45.94 52.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.42 -50.91 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.44 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.03 -53.52 36.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 1.0 110.182 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.1 m -46.44 -50.52 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.024 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 30.0 t -64.16 -63.97 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 1.0 111.678 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.62 -32.61 31.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.172 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' C' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.2 98.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.594 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.49 -50.89 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.97 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' C' ' 69' ' ' GLU . 94.1 t -60.81 -36.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.885 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.459 ' O ' ' N ' ' C' ' 69' ' ' GLU . 19.5 mtt -57.26 -50.04 74.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.029 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.32 -24.21 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-O 120.88 0.372 . . . . 1.0 110.189 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' C' ' 66' ' ' MET . 11.2 t -91.74 -31.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' C' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -47.99 6.13 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -178.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 73' ' ' SER . 4.0 pt -69.82 -50.86 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.241 -0.583 . . . . 1.0 110.093 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' C' ' 70' ' ' ILE . 5.8 tp -50.0 -40.52 44.62 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.801 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.534 HD22 ' H ' ' B' ' 85' ' ' GLU . 4.4 m120 -75.54 -12.37 60.21 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.8 t -90.02 -56.27 3.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.998 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -51.86 65.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.182 0.515 . . . . 1.0 110.031 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.434 HG22 ' O ' ' C' ' 71' ' ' LEU . 11.3 tt -51.1 -43.45 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.683 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 84.2 mt-10 -80.93 -23.65 38.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.599 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.83 -52.99 63.19 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.468 -0.493 . . . . 1.0 109.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.414 HG12 ' O ' ' C' ' 75' ' ' ILE . 3.5 p -53.35 -31.61 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -85.24 -24.04 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.73 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.3 m-20 -77.26 -103.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 82' ' ' ILE . 63.3 mtp180 -100.33 -8.85 22.92 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.708 0.262 . . . . 1.0 111.708 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.9 tt 34.4 99.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.942 0.401 . . . . 1.0 111.814 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -133.7 -69.33 0.08 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.425 ' O ' ' O ' ' C' ' 83' ' ' GLY . 24.2 m 41.99 -166.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.843 0.354 . . . . 1.0 111.022 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . 0.515 ' H ' HD22 ' A' ' 72' ' ' ASN . 87.3 mt-10 -51.14 127.47 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.516 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -83.5 -16.15 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.718 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' C' ' 88' ' ' GLU . 3.4 m-70 -76.12 -63.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' C' ' 87' ' ' HIS . 8.8 pt-20 26.51 48.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.659 0.599 . . . . 1.0 112.248 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.855 ' H ' HD23 ' C' ' 89' ' ' LEU . 1.5 pt? -103.78 -22.05 13.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.209 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 91' ' ' GLY . 40.1 t -73.22 32.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 1.0 110.867 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.02 168.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.582 -1.007 . . . . 1.0 110.582 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.423 ' O ' ' SD ' ' C' ' 96' ' ' MET . 22.5 ptt180 -85.9 -25.05 26.37 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.11 58.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' C' ' 97' ' ' GLY . 66.7 tttt -67.49 -29.53 68.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.62 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.27 -38.51 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' C' ' 96' ' ' MET . 0.2 OUTLIER -69.77 -43.78 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.6 -36.8 92.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -48.51 -33.86 10.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.727 -0.278 . . . . 1.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.99 -50.48 5.68 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.39 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.258 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.1 t -69.84 -65.5 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.329 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.09 -47.58 68.46 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.595 0.712 . . . . 1.0 110.307 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' C' ' 107' ' ' VAL . 1.4 tp -68.06 -18.36 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.416 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -47.9 -49.65 29.19 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.795 0.331 . . . . 1.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.1 -41.3 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.253 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.81 -30.41 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.646 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.587 HG12 ' N ' ' C' ' 108' ' ' ALA . 2.7 t -80.94 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 122.358 -0.214 . . . . 1.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.587 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -36.76 -29.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 1.0 111.442 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' C' ' 107' ' ' VAL . 26.3 t -92.43 -81.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.35 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.53 -34.84 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.425 ' O ' HD13 ' C' ' 115' ' ' LEU . 30.6 m -61.63 -53.93 49.69 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -62.93 -27.57 69.47 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.374 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 52.2 m -65.54 -58.02 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 55' ' ' ARG . 28.5 mt -65.74 -38.03 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.721 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.425 HD13 ' O ' ' C' ' 111' ' ' THR . 3.8 mp -53.63 -30.88 44.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.52 -36.16 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.04 -22.63 16.45 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.277 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.95 -30.93 68.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' C' ' 121' ' ' GLY . 46.3 m80 -68.56 -32.8 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.9 t80 49.1 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.001 -1.444 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 120.705 0.288 . . . . 1.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.33 -12.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 1.0 111.246 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.23 -63.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 30' ' ' ALA . 84.0 mt-10 -106.19 -46.71 4.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 25' ' ' TRP . . . -56.18 -4.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.13 -39.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.225 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ALA . 28.4 m-85 -67.32 -50.01 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.48 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' ALA . 16.8 mmm180 -63.69 -45.45 89.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.015 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.59 32.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.437 . . . . 1.0 110.542 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 38' ' ' VAL . 48.5 mm-40 -95.2 -43.85 7.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.71 -47.09 8.11 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 32' ' ' ARG . 85.5 t -49.97 -48.71 22.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -11.59 45.9 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.5 t -99.96 -30.26 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.379 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.25 -57.41 2.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.92 -0.4 . . . . 1.0 109.92 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.34 72.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.763 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.42 70.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.5 t -89.54 -43.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.648 0.261 . . . . 1.0 111.589 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.71 -44.52 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.748 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 45' ' ' ALA . 20.8 tt -60.78 -45.25 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.334 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.571 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -63.43 -30.04 71.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.24 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.34 -48.47 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.249 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -50.38 -52.17 39.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.97 -104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.282 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.8 t0 -159.82 -156.42 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 14.8 m -97.85 168.95 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' H ' HD11 ' B' ' 53' ' ' ILE . 14.0 p-10 -156.73 -148.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.769 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.18 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.111 0.481 . . . . 1.0 111.553 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 56' ' ' VAL . 30.8 pt -65.42 -26.73 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.344 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 54' ' ' THR . 23.9 p -41.9 -25.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.733 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ILE . 48.2 ttp85 -79.03 -47.81 15.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.175 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' ILE . 57.8 t -65.58 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.766 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.17 -43.19 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 1.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 62' ' ' VAL . 3.5 tt -50.58 -50.97 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.534 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 59' ' ' ILE . 11.5 pt -78.47 -40.88 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.683 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -45.98 -55.33 6.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.581 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -60.66 -51.04 71.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.297 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD12 ' C' ' 103' ' ' ILE . 89.3 t -55.06 -39.2 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.245 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.7 mtm -70.28 -49.84 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.63 -51.98 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.087 -0.245 . . . . 1.0 111.636 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.66 -30.09 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.117 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -58.37 -38.19 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.086 -0.709 . . . . 1.0 109.086 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' C' ' 66' ' ' MET . 41.9 mm -50.37 -49.09 24.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.992 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 t -84.98 -32.25 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 1.0 112.262 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -91.27 -80.96 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.507 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mm -43.91 -54.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.11 66.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.329 -0.948 . . . . 1.0 109.699 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.69 -11.85 59.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.099 0.476 . . . . 1.0 109.79 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ALA . 5.9 p -89.55 -52.81 4.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.07 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.548 ' HB1' HD11 ' B' ' 75' ' ' ILE . . . -58.83 -50.95 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.161 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 ' HB1' ' C' ' 74' ' ' ALA . 4.2 mm -52.91 -29.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.616 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' ASP . 42.9 mm-40 -92.92 -26.08 17.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.99 -52.2 66.49 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.39 -36.28 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.274 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.17 -27.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.58 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.9 m-20 -83.61 -111.15 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 112.002 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.694 ' HE ' ' NH1' ' C' ' 92' ' ' ARG . 60.3 mtm180 -106.07 -33.94 7.72 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.193 -0.458 . . . . 1.0 112.089 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.5 tt 37.0 102.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.457 0.646 . . . . 1.0 111.565 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.57 59.87 0.54 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.9 t -41.59 143.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 1.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 10.2 mp0 -63.34 165.35 7.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -83.87 -38.06 21.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -63.0 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.956 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -47.44 97.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 1.0 110.33 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLY . 5.3 tp -155.84 -21.1 0.11 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.793 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -63.04 61.42 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.882 0.373 . . . . 1.0 111.552 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 56.32 166.92 0.06 OUTLIER Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.684 ' NH1' ' HE ' ' B' ' 81' ' ' ARG . 32.3 ptt-85 -86.11 -19.36 30.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.096 0.474 . . . . 1.0 109.961 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -50.43 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.609 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.0 -34.69 78.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.164 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 32.4 m-20 -42.07 -35.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.004 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.4 mtt -74.16 -44.63 52.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.072 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.75 -38.77 96.02 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.231 -1.147 . . . . 1.0 110.231 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.6 p -48.67 -27.04 2.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 1.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -58.82 -21.3 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.388 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 40.9 t -72.66 -64.62 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.33 -46.14 69.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.398 0.618 . . . . 1.0 111.029 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.516 HD12 HG22 ' B' ' 62' ' ' VAL . 4.9 pt -71.91 -17.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . -44.8 -48.93 10.97 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.353 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 3.2 pt -65.5 -42.72 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.346 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 110' ' ' ILE . 95.2 mt -74.35 -64.12 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 120.121 -0.631 . . . . 1.0 111.108 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' VAL . 42.0 t -50.46 -77.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.87 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . -32.04 -34.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.088 0.47 . . . . 1.0 111.641 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.9 t -90.64 -76.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.5 mp -45.13 -29.58 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.521 -0.309 . . . . 1.0 110.885 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 112' ' ' TRP . 7.1 t -62.72 -45.72 91.42 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.454 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.517 ' N ' HG23 ' A' ' 111' ' ' THR . 60.4 t-105 -64.52 -27.92 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.12 -57.32 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.8 tt -55.76 -48.01 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -59.92 -45.02 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.969 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 120' ' ' PHE . 9.0 t -49.43 -37.07 24.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.499 ' H ' ' C ' ' A' ' 118' ' ' SER . 89.8 t80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 1.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.566 ' CD1' ' CB ' ' B' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.725 0.298 . . . . 1.0 111.195 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.46 -12.24 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 1.0 111.196 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.35 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.897 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 30' ' ' ALA . 83.6 mt-10 -106.13 -46.91 3.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' B' ' 25' ' ' TRP . . . -56.05 -4.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.08 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.196 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.29 -50.01 61.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.482 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' ALA . 16.8 mmm180 -63.54 -45.54 90.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.013 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.61 32.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.001 0.429 . . . . 1.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 38' ' ' VAL . 48.5 mm-40 -95.1 -43.93 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.291 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -47.23 8.12 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 32' ' ' ARG . 85.1 t -49.94 -48.7 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.214 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.63 -11.63 46.31 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.896 -0.322 . . . . 1.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 34' ' ' GLU . 78.5 t -99.91 -30.19 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.421 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.24 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.977 -0.379 . . . . 1.0 109.977 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.35 72.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -31.41 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.441 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 38' ' ' VAL . 89.7 t -89.51 -43.84 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 120.67 0.271 . . . . 1.0 111.586 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.63 -44.49 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.75 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.55 HG23 ' N ' ' B' ' 45' ' ' ALA . 20.8 tt -60.88 -45.2 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.35 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.55 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -63.34 -30.15 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.25 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.28 -48.47 42.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.42 -52.08 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.105 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.02 -104.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.354 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.8 t0 -159.87 -156.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.547 -0.297 . . . . 1.0 110.385 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.5 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 14.6 m -97.92 168.91 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.517 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.472 ' H ' HD11 ' C' ' 53' ' ' ILE . 14.0 p-10 -156.65 -148.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.787 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.24 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 1.0 111.661 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 56' ' ' VAL . 30.9 pt -65.4 -26.79 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.291 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.5 p -41.83 -25.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.825 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 53' ' ' ILE . 48.3 ttp85 -79.01 -47.85 15.51 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.114 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 53' ' ' ILE . 57.5 t -65.55 -31.79 55.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.305 -0.861 . . . . 1.0 110.736 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tp -53.09 -43.27 66.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.018 0.437 . . . . 1.0 110.564 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.543 ' O ' HG23 ' B' ' 62' ' ' VAL . 3.5 tt -50.49 -51.0 51.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.419 ' H ' HG12 ' B' ' 59' ' ' ILE . 11.3 pt -78.57 -40.81 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -46.03 -55.28 7.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.61 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -60.61 -51.16 70.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 1.0 110.35 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 58' ' ' LEU . 89.6 t -55.01 -39.17 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.201 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.16 -49.91 45.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.64 -52.02 65.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.619 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -30.16 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.447 ' SD ' HD12 ' C' ' 67' ' ' ILE . 0.0 OUTLIER -58.21 -38.17 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 179.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 66' ' ' MET . 41.5 mm -50.46 -49.1 25.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.165 -0.925 . . . . 1.0 111.013 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.95 -32.21 7.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.327 0.492 . . . . 1.0 112.327 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.2 -81.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 31.1 mm -43.76 -54.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.506 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -54.67 -38.2 66.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.332 -0.947 . . . . 1.0 109.721 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.74 -11.67 59.99 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 77' ' ' ALA . 5.9 p -89.63 -52.91 4.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.733 -0.667 . . . . 1.0 109.97 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.566 ' HB1' HD11 ' C' ' 75' ' ' ILE . . . -58.79 -50.96 72.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.548 HD11 ' HB1' ' A' ' 74' ' ' ALA . 4.3 mm -52.84 -29.51 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.896 -1.047 . . . . 1.0 109.606 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 80' ' ' ASP . 43.0 mm-40 -92.82 -26.09 17.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.87 -52.23 66.32 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.39 -36.31 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.245 -0.889 . . . . 1.0 109.332 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.24 -27.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.503 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.7 m-20 -83.69 -111.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.99 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.684 ' HE ' ' NH1' ' A' ' 92' ' ' ARG . 60.3 mtm180 -106.08 -33.85 7.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.129 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.6 tt 36.94 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.441 0.638 . . . . 1.0 111.639 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.65 60.03 0.53 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.569 -1.012 . . . . 1.0 110.569 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -41.56 143.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 1.0 110.975 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' B' ' 85' ' ' GLU . 10.2 mp0 -63.26 165.31 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -83.84 -38.03 21.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -62.99 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.983 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.47 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' B' ' 91' ' ' GLY . 5.3 tp -155.9 -21.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.749 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.5 m -63.08 61.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.924 0.392 . . . . 1.0 111.603 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 56.34 166.9 0.06 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.689 ' NH1' ' HE ' ' C' ' 81' ' ' ARG . 32.3 ptt-85 -86.04 -19.44 30.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 1.0 110.002 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.43 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.66 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.08 -34.64 78.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.123 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 32.4 m-20 -42.16 -35.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.978 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 24.0 mtt -74.08 -44.68 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.116 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.455 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.71 -38.71 95.98 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.215 -1.154 . . . . 1.0 110.215 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.0 p -48.85 -26.98 2.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.791 0.329 . . . . 1.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.38 -48.25 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.101 0.477 . . . . 1.0 109.825 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -58.81 -21.23 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.32 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 97' ' ' GLY . 40.6 t -72.71 -64.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.27 -46.22 69.18 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.473 0.654 . . . . 1.0 111.054 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 62' ' ' VAL . 4.9 pt -71.84 -17.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' B' ' 108' ' ' ALA . . . -44.88 -48.84 11.19 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 3.2 pt -65.56 -42.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' B' ' 110' ' ' ILE . 95.1 mt -74.43 -63.97 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.086 -0.646 . . . . 1.0 111.138 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' B' ' 103' ' ' ILE . 41.7 t -50.61 -76.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.895 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 104' ' ' ALA . . . -32.06 -34.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.041 0.448 . . . . 1.0 111.63 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.7 t -90.59 -76.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.487 ' N ' HD12 ' B' ' 110' ' ' ILE . 1.5 mp -45.05 -29.61 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.866 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 112' ' ' TRP . 7.1 t -62.71 -45.69 91.58 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.489 -0.484 . . . . 1.0 110.466 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . 0.503 ' N ' HG23 ' B' ' 111' ' ' THR . 60.4 t-105 -64.6 -27.92 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.13 -57.38 8.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -39.63 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.591 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.565 ' O ' HD23 ' B' ' 115' ' ' LEU . 1.8 tt -55.87 -47.94 76.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.524 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -59.87 -45.02 93.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.05 179.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.34 -40.26 90.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.402 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.9 t -49.48 -37.09 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.443 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.56 4.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.979 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' B' ' 118' ' ' SER . 89.7 t80 . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.564 ' CD1' ' CB ' ' C' ' 29' ' ' ALA . 3.6 t-105 . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.637 0.256 . . . . 1.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.409 ' H ' HG23 ' C' ' 26' ' ' ILE . 5.1 pt -57.28 -12.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 1.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.28 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.909 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' C' ' 30' ' ' ALA . 83.9 mt-10 -106.2 -46.84 3.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.614 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' C' ' 25' ' ' TRP . . . -56.07 -4.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.837 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.07 -39.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.233 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' C' ' 29' ' ' ALA . 28.2 m-85 -67.32 -49.95 62.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.531 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' C' ' 29' ' ' ALA . 16.9 mmm180 -63.64 -45.54 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.988 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.93 -15.63 33.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.064 0.459 . . . . 1.0 110.595 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.503 ' O ' HG23 ' C' ' 38' ' ' VAL . 48.8 mm-40 -95.09 -43.87 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.268 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.57 -47.24 8.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 32' ' ' ARG . 85.2 t -50.04 -48.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.254 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -11.5 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.503 HG23 ' O ' ' C' ' 34' ' ' GLU . 77.5 t -99.91 -30.27 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.372 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.23 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.8 OUTLIER -56.73 -38.4 72.31 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.729 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.96 -31.34 70.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' C' ' 38' ' ' VAL . 88.4 t -89.58 -43.7 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.6 0.238 . . . . 1.0 111.578 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.76 -44.44 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 1.0 110.701 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.558 HG23 ' N ' ' C' ' 45' ' ' ALA . 20.8 tt -60.93 -45.2 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.347 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.558 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -63.35 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.3 -48.61 40.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.31 -52.08 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 mt -79.97 -104.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.321 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.8 t0 -159.89 -156.4 0.5 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.341 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . 0.493 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 14.8 m -97.93 168.84 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.51 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.475 ' H ' HD11 ' A' ' 53' ' ' ILE . 13.9 p-10 -156.64 -148.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.783 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -174.05 5.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.074 0.464 . . . . 1.0 111.641 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 56' ' ' VAL . 30.4 pt -65.51 -26.69 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.312 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . 0.415 HG23 ' H ' ' C' ' 54' ' ' THR . 23.8 p -41.91 -25.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.718 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 53' ' ' ILE . 48.3 ttp85 -79.04 -47.74 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.201 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' C' ' 53' ' ' ILE . 57.9 t -65.63 -31.73 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.73 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.1 -43.29 66.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.011 0.434 . . . . 1.0 110.467 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.549 ' O ' HG23 ' C' ' 62' ' ' VAL . 3.5 tt -50.5 -50.99 51.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.635 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.433 HG12 ' H ' ' C' ' 59' ' ' ILE . 11.4 pt -78.51 -40.86 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.69 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' B' ' 59' ' ' ILE . 5.5 t -45.97 -55.37 6.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.54 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 9.1 t -60.72 -51.03 71.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.214 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 58' ' ' LEU . 89.3 t -55.13 -39.08 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.225 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.26 -49.95 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.55 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.632 0.234 . . . . 1.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.52 -30.25 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.077 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.45 ' SD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -58.23 -38.21 76.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.447 HD12 ' SD ' ' B' ' 66' ' ' MET . 41.4 mm -50.33 -49.12 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.035 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.93 -32.24 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -91.19 -80.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.984 0.421 . . . . 1.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.9 -54.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.586 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' C' ' 71' ' ' LEU . 0.1 OUTLIER -54.73 -38.13 66.75 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 119.393 -0.923 . . . . 1.0 109.677 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.73 -11.83 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 1.0 109.792 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.475 ' O ' ' N ' ' C' ' 77' ' ' ALA . 5.8 p -89.48 -52.91 4.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.079 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 75' ' ' ILE . . . -58.85 -50.89 72.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.621 -0.718 . . . . 1.0 109.191 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.566 HD11 ' HB1' ' B' ' 74' ' ' ALA . 4.3 mm -52.87 -29.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.583 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 80' ' ' ASP . 43.0 mm-40 -92.91 -25.97 17.82 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.97 -52.23 66.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.34 -36.28 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.278 -0.874 . . . . 1.0 109.325 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.35 -27.83 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.524 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' C' ' 76' ' ' GLU . 62.0 m-20 -83.71 -111.2 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.938 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.689 ' HE ' ' NH1' ' B' ' 92' ' ' ARG . 60.1 mtm180 -105.98 -33.92 7.76 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.182 0.438 . . . . 1.0 112.182 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.5 tt 36.96 102.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 1.0 111.583 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.62 60.03 0.53 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.526 -1.03 . . . . 1.0 110.526 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -41.65 143.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.793 0.33 . . . . 1.0 111.012 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 10.1 mp0 -63.34 165.3 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -83.82 -38.08 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -62.98 -62.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.932 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.54 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' C' ' 91' ' ' GLY . 5.9 tp -155.8 -21.03 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.727 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -63.14 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.983 0.42 . . . . 1.0 111.621 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 56.26 166.96 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.694 ' NH1' ' HE ' ' A' ' 81' ' ' ARG . 32.3 ptt-85 -86.14 -19.4 30.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 1.0 109.91 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.47 66.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.622 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -67.06 -34.56 77.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.812 0.339 . . . . 1.0 111.236 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 32.4 m-20 -42.02 -35.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.017 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 24.2 mtt -74.25 -44.6 52.36 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.087 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.46 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.6 -38.85 96.23 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.255 -1.138 . . . . 1.0 110.255 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 69.5 p -48.73 -26.99 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.745 0.307 . . . . 1.0 110.56 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -58.89 -21.22 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.679 . . . . 1.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.46 HG23 ' O ' ' C' ' 97' ' ' GLY . 40.5 t -72.84 -64.48 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 112.306 0.484 . . . . 1.0 112.306 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 mt -53.34 -46.22 69.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.403 0.62 . . . . 1.0 110.988 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 62' ' ' VAL . 4.9 pt -71.86 -17.76 19.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' C' ' 108' ' ' ALA . . . -44.79 -48.96 10.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.941 0.4 . . . . 1.0 110.381 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 3.2 pt -65.5 -42.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' C' ' 110' ' ' ILE . 95.2 mt -74.48 -63.96 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.077 -0.649 . . . . 1.0 111.097 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' C' ' 109' ' ' VAL . 41.9 t -50.63 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.885 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' C' ' 104' ' ' ALA . . . -31.96 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.096 0.474 . . . . 1.0 111.649 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.9 t -90.66 -75.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . 0.486 ' N ' HD12 ' C' ' 110' ' ' ILE . 1.5 mp -45.15 -29.65 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.857 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 112' ' ' TRP . 7.1 t -62.55 -45.84 91.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . 0.512 ' N ' HG23 ' C' ' 111' ' ' THR . 60.5 t-105 -64.56 -27.95 69.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.15 -57.35 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.619 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.569 ' O ' HD23 ' C' ' 115' ' ' LEU . 1.9 tt -55.89 -47.88 76.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.528 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -59.82 -45.17 93.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.913 179.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.35 -40.27 90.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.313 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . 0.497 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.9 t -49.48 -37.02 24.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' C' ' 121' ' ' GLY . 89.6 t80 -44.91 163.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 1.0 110.553 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.682 0 CA-C-O 117.974 -1.459 . . . . 1.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.4 ' C ' ' H ' ' A' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.91 0.386 . . . . 1.0 110.476 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 pt -55.25 -11.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.203 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 16.2 p-10 -60.25 -60.97 2.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.435 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 30' ' ' ALA . 66.4 mt-10 -107.19 -44.84 4.26 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.752 0.311 . . . . 1.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -58.03 -3.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' O ' ' SD ' ' C' ' 96' ' ' MET . . . -32.93 -39.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.662 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -96.63 -35.62 10.99 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.253 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.24 -41.61 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 1.0 110.095 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.01 -63.31 1.34 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.571 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.6 tt0 -44.43 -36.41 2.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.941 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.79 -58.67 7.99 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.82 -34.27 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -6.5 9.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.34 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 34' ' ' GLU . 23.6 t -103.36 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.323 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.3 mp -91.93 -48.67 6.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.162 0.506 . . . . 1.0 110.648 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.66 -42.16 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.109 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.47 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 43' ' ' VAL . 10.6 m -96.5 -37.65 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 39' ' ' LEU . 25.6 t -57.92 -48.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.569 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 45' ' ' ALA . 4.4 pt -72.82 -46.98 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.253 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 44' ' ' ILE . . . -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 1.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -71.63 -46.54 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.331 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -52.67 -44.92 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.32 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.434 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 45.6 p-10 -84.42 -160.12 0.45 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.656 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.42 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.36 152.91 51.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.002 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.57 -59.84 2.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.407 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.837 HD11 HG21 ' C' ' 56' ' ' VAL . 9.6 tp -173.44 -31.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.579 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -50.0 -35.12 23.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.749 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -78.87 -48.06 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 HD11 ' B' ' 53' ' ' ILE . 94.3 t -63.25 -45.23 98.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.619 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.1 tt -48.47 -50.56 31.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 1.0 109.914 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 62' ' ' VAL . 79.6 mt -46.72 -41.99 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.691 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.21 -49.99 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.907 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.14 -55.79 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.716 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 t -63.98 -63.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.116 0.484 . . . . 1.0 110.531 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 58' ' ' LEU . 45.1 t -51.33 -32.08 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.867 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.6 ttm -58.84 -30.94 68.05 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.429 -0.508 . . . . 1.0 109.929 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' C' ' 38' ' ' VAL . 37.1 mt -64.0 -44.99 90.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.3 -33.65 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.935 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 31.1 mtt -62.55 -49.85 73.66 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.287 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -44.31 -30.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.684 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.39 -28.7 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 1.0 111.63 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.23 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.778 0.323 . . . . 1.0 111.053 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 66' ' ' MET . 44.5 mm -62.34 -60.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.35 -36.72 44.3 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.946 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.47 -11.05 60.68 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.43 0.634 . . . . 1.0 109.395 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.2 p -89.73 -54.25 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.91 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.44 -52.09 67.07 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.546 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 76' ' ' GLU . 10.7 tp -50.45 -46.08 26.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.155 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 75' ' ' ILE . 15.0 tt0 -79.73 -23.7 42.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.06 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.08 -54.78 43.07 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.531 -0.467 . . . . 1.0 110.759 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.94 -31.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.59 -33.67 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.237 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' GLU . 84.3 m-20 -83.01 -108.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 83' ' ' GLY . 73.6 mtp180 -104.53 6.02 34.39 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.321 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt 67.2 -28.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 81' ' ' ARG . . . 105.78 1.78 39.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 4.4 t 65.45 59.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 1.0 110.964 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.12 88.26 7.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.339 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.443 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 56.9 m-85 -79.01 -31.44 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.975 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 2.2 m-70 -58.79 -63.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.895 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' C ' ' H ' ' A' ' 90' ' ' SER . 5.8 tt0 32.73 -146.31 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.331 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 tp 62.72 -27.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.278 0.473 . . . . 1.0 112.278 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.582 ' H ' ' C ' ' A' ' 88' ' ' GLU . 11.7 m -52.9 -1.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.882 0.326 . . . . 1.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.21 172.29 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.554 -1.019 . . . . 1.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.06 -24.55 21.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.68 -52.61 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.791 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -69.08 -28.3 66.39 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.947 0.403 . . . . 1.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 80.4 m-20 -44.31 -41.43 5.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.466 -0.494 . . . . 1.0 110.805 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' B' ' 30' ' ' ALA . 6.1 mtp -82.23 -50.3 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.886 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -61.26 -46.54 94.24 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.371 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -49.36 -31.0 8.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.764 0.316 . . . . 1.0 111.092 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.83 -53.12 4.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.52 -21.83 62.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.799 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.1 p -72.17 -62.18 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.591 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.4 tp -52.93 -44.79 67.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.895 0.855 . . . . 1.0 109.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 107' ' ' VAL . 28.5 mm -75.05 -22.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.3 -0.863 . . . . 1.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -38.16 -49.01 1.31 Allowed 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.092 0.473 . . . . 1.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.7 pt -69.56 -40.72 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.299 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 89.7 mt -70.73 -34.72 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.272 -0.571 . . . . 1.0 112.291 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.892 HG13 ' H ' ' A' ' 108' ' ' ALA . 9.4 p -82.86 -71.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.892 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -38.96 -28.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.627 0.251 . . . . 1.0 111.455 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 105' ' ' ILE . 87.0 t -86.05 -80.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.338 . . . . 1.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.54 -24.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.132 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 49.8 m -59.37 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 1.0 110.566 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.2 -22.47 11.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.42 -57.56 9.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.366 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 114' ' ' ILE . 1.8 mp -65.17 -46.46 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.327 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.11 -33.79 65.44 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.53 -45.96 60.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.457 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.12 -20.97 1.67 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.29 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -60.02 -26.44 66.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -63.53 -5.84 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.544 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.43 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 71.0 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.907 0.384 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 pt -55.33 -11.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 28' ' ' GLU . 16.2 p-10 -60.23 -61.0 2.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.48 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 66.3 mt-10 -107.1 -44.85 4.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 1.0 110.721 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -58.11 -3.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.756 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.503 ' O ' ' SD ' ' A' ' 96' ' ' MET . . . -32.82 -39.37 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.652 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -96.62 -35.7 10.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.251 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.15 -41.67 99.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.071 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.633 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 38' ' ' VAL . 30.5 tt0 -44.6 -36.26 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.93 -58.61 7.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 109.386 -1.486 . . . . 1.0 109.386 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.83 -34.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.4 -6.43 10.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.284 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' C' ' 64' ' ' LEU . 24.0 t -103.4 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.302 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.3 mp -91.98 -48.55 6.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.136 0.493 . . . . 1.0 110.703 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.66 -42.07 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.51 69.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.304 0.483 . . . . 1.0 112.304 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -96.48 -37.54 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 39' ' ' LEU . 25.6 t -58.02 -48.68 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.466 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.473 ' CG1' ' N ' ' B' ' 45' ' ' ALA . 4.4 pt -72.8 -47.02 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 44' ' ' ILE . . . -59.03 -34.62 72.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.55 -46.57 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -52.75 -44.85 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 mt -95.37 -144.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ALA . 45.7 p-10 -84.49 -160.08 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.564 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.34 152.93 51.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.358 -0.383 . . . . 1.0 109.987 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.67 -59.78 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.331 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 56' ' ' VAL . 9.6 tp -173.53 -31.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.61 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.748 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -78.88 -48.05 15.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 1.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.825 HG21 HD11 ' C' ' 53' ' ' ILE . 94.2 t -63.36 -45.09 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.661 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.1 tt -48.57 -50.51 32.03 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.891 -0.411 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.503 ' O ' HG23 ' B' ' 62' ' ' VAL . 79.7 mt -46.75 -41.92 16.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.685 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 80.3 mt -78.27 -49.95 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.892 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.25 -55.78 16.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.709 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.1 t -63.95 -63.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.002 0.43 . . . . 1.0 110.489 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 58' ' ' LEU . 45.3 t -51.37 -32.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 63' ' ' MET . 30.6 ttm -58.8 -31.01 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.859 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.453 ' HB3' HG22 ' A' ' 38' ' ' VAL . 36.7 mt -63.94 -45.05 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.24 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.934 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' B' ' 70' ' ' ILE . 31.0 mtt -62.68 -49.71 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.273 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.39 -30.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.624 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -91.5 -28.61 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.671 0.272 . . . . 1.0 111.56 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.22 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.856 0.36 . . . . 1.0 111.105 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.6 mm -62.51 -60.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.167 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.38 -36.64 44.27 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.962 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -71.5 -11.0 60.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.368 0.604 . . . . 1.0 109.374 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.2 p -89.78 -54.27 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.882 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.442 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.622 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.459 HG23 ' N ' ' B' ' 76' ' ' GLU . 10.7 tp -50.39 -46.1 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.428 -0.806 . . . . 1.0 110.2 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.459 ' N ' HG23 ' B' ' 75' ' ' ILE . 15.0 tt0 -79.76 -23.67 42.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.805 -0.358 . . . . 1.0 111.07 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.06 -54.71 43.89 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.77 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -54.09 -31.16 21.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -82.62 -33.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.165 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' GLU . 84.3 m-20 -82.95 -108.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.51 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' B' ' 83' ' ' GLY . 73.5 mtp180 -104.53 6.0 34.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.356 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' B' ' 77' ' ' ALA . 5.7 mt 67.3 -28.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.429 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 81' ' ' ARG . . . 105.94 1.66 39.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' B' ' 86' ' ' TYR . 4.3 t 65.43 59.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.755 0.312 . . . . 1.0 110.942 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.16 88.23 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.28 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' OG ' ' B' ' 84' ' ' SER . 56.9 m-85 -78.92 -31.56 45.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.062 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 2.2 m-70 -58.73 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.919 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' B' ' 90' ' ' SER . 5.8 tt0 32.82 -146.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.226 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 tp 62.6 -27.31 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.355 0.502 . . . . 1.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.574 ' H ' ' C ' ' B' ' 88' ' ' GLU . 11.7 m -52.98 -1.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.24 172.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.02 -24.61 21.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.47 44.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.86 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -69.18 -28.35 66.33 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.89 0.376 . . . . 1.0 111.122 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 80.4 m-20 -44.22 -41.5 5.87 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.401 -0.52 . . . . 1.0 110.846 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' C' ' 30' ' ' ALA . 6.2 mtp -82.16 -50.29 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.844 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.459 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -61.31 -46.47 94.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 120.768 -0.73 . . . . 1.0 111.392 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -49.45 -30.94 8.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.805 0.336 . . . . 1.0 111.146 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.79 -53.18 4.12 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.38 -21.92 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.828 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.697 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.3 p -72.08 -62.36 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 120.827 -0.349 . . . . 1.0 111.565 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.697 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.6 tp -53.09 -44.5 67.63 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.874 0.845 . . . . 1.0 109.539 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 107' ' ' VAL . 28.2 mm -75.08 -22.46 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.421 -0.808 . . . . 1.0 111.178 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -38.16 -48.96 1.31 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.117 0.484 . . . . 1.0 110.733 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 2.7 pt -69.54 -40.75 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.427 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' B' ' 103' ' ' ILE . 89.8 mt -70.69 -34.79 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 120.239 -0.584 . . . . 1.0 112.285 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.917 HG13 ' H ' ' B' ' 108' ' ' ALA . 9.3 p -82.86 -71.17 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.242 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.917 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -38.74 -28.73 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.586 0.231 . . . . 1.0 111.461 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' B' ' 105' ' ' ILE . 86.5 t -85.96 -80.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 1.0 110.605 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.72 -24.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.142 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 48.9 m -59.4 -53.71 55.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 1.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -54.26 -22.41 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.367 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.38 -57.62 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.395 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.652 ' H ' HD12 ' B' ' 114' ' ' ILE . 1.8 mp -64.99 -46.66 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.37 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 45.2 mt -56.0 -33.84 65.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.138 -0.689 . . . . 1.0 109.138 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 62.6 tp -71.44 -45.98 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.602 -0.726 . . . . 1.0 109.465 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 53.3 t-105 -51.19 -21.06 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.17 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.97 -26.38 65.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.336 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.55 -5.75 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.434 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 70.9 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' C' ' 27' ' ' ASN . 5.5 t-105 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.976 0.417 . . . . 1.0 110.533 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt -55.31 -11.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.1 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' C' ' 28' ' ' GLU . 16.2 p-10 -60.21 -61.04 2.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.442 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' C' ' 30' ' ' ALA . 66.4 mt-10 -107.08 -44.9 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.744 0.307 . . . . 1.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' C' ' 30' ' ' ALA . . . -57.99 -3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.769 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' B' ' 96' ' ' MET . . . -32.91 -39.31 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.611 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.61 -35.61 11.0 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.266 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -63.22 -41.64 99.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.044 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.27 1.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.575 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.465 ' O ' HG23 ' C' ' 38' ' ' VAL . 30.5 tt0 -44.49 -36.26 2.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.991 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.72 7.9 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 109.381 -1.488 . . . . 1.0 109.381 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.73 -34.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -6.38 9.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.283 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 64' ' ' LEU . 23.5 t -103.37 -24.7 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.365 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.572 ' N ' HD12 ' C' ' 39' ' ' LEU . 9.3 mp -92.04 -48.54 6.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.087 0.47 . . . . 1.0 110.613 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -41.92 77.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.067 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.46 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' C' ' 43' ' ' VAL . 10.6 m -96.56 -37.65 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 39' ' ' LEU . 25.6 t -57.9 -48.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.575 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.474 ' CG1' ' N ' ' C' ' 45' ' ' ALA . 4.4 pt -72.84 -47.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.255 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' C' ' 44' ' ' ILE . . . -58.92 -34.73 72.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.53 -46.57 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -52.68 -44.95 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.367 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.28 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ALA . 45.7 p-10 -84.46 -160.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -98.85 -151.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.591 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.33 152.92 51.95 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.62 -59.87 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.825 HD11 HG21 ' B' ' 56' ' ' VAL . 9.6 tp -173.48 -31.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.743 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -78.86 -48.05 15.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 1.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 53' ' ' ILE . 94.9 t -63.29 -45.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.606 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.513 ' O ' HD23 ' C' ' 57' ' ' LEU . 1.1 tt -48.57 -50.49 32.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.998 0.428 . . . . 1.0 109.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 79.5 mt -46.8 -41.85 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.693 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.29 -50.0 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -51.23 -55.77 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.707 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -63.96 -63.01 1.27 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.043 0.449 . . . . 1.0 110.494 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 45.0 t -51.44 -31.97 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.877 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttm -58.88 -30.95 68.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.372 -0.531 . . . . 1.0 109.951 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 38' ' ' VAL . 37.3 mt -63.95 -45.04 90.93 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.19 -33.76 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.938 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' C' ' 70' ' ' ILE . 31.0 mtt -62.47 -49.82 73.87 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.325 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.41 -30.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.643 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.42 -28.64 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.761 0.315 . . . . 1.0 111.601 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -95.35 -57.22 2.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.751 0.31 . . . . 1.0 111.031 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 66' ' ' MET . 44.7 mm -62.41 -60.29 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.22 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.43 -36.6 44.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.242 -0.583 . . . . 1.0 109.982 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.49 -11.11 60.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.2 p -89.72 -54.24 4.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.931 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.47 -52.06 67.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.575 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.48 HG23 ' N ' ' C' ' 76' ' ' GLU . 10.7 tp -50.42 -46.1 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.48 ' N ' HG23 ' C' ' 75' ' ' ILE . 15.1 tt0 -79.82 -23.61 41.94 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.888 -0.325 . . . . 1.0 111.043 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.11 -54.79 42.93 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.733 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.99 -31.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.52 -33.72 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.202 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 76' ' ' GLU . 84.4 m-20 -83.0 -108.18 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.444 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' C' ' 83' ' ' GLY . 73.7 mtp180 -104.6 6.14 34.28 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.359 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 77' ' ' ALA . 5.7 mt 67.13 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' C' ' 81' ' ' ARG . . . 105.87 1.72 39.51 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' C' ' 86' ' ' TYR . 4.3 t 65.44 59.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.08 88.25 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . 0.419 ' CE2' ' OG ' ' C' ' 84' ' ' SER . 56.9 m-85 -78.94 -31.59 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 2.2 m-70 -58.69 -63.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.584 ' C ' ' H ' ' C' ' 90' ' ' SER . 5.8 tt0 32.82 -146.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.231 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 tp 62.63 -27.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.584 ' H ' ' C ' ' C' ' 88' ' ' GLU . 12.4 m -52.88 -1.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.849 0.314 . . . . 1.0 111.849 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.26 172.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.535 -1.026 . . . . 1.0 110.535 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -89.97 -24.49 21.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.3 0.571 . . . . 1.0 109.465 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.69 -52.55 43.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.812 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' C' ' 98' ' ' SER . 31.8 mttt -69.16 -28.39 66.38 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.847 0.356 . . . . 1.0 111.029 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 80.6 m-20 -44.17 -41.54 5.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.848 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 30' ' ' ALA . 6.1 mtp -82.09 -50.39 9.11 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.895 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.462 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -61.18 -46.63 94.1 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . 0.402 ' N ' ' O ' ' C' ' 94' ' ' LYS . 66.4 m -49.32 -31.11 8.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.813 0.339 . . . . 1.0 111.041 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.77 -53.14 4.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.4 -21.94 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.851 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.2 p -72.15 -62.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 120.761 -0.376 . . . . 1.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 9.4 tp -52.94 -44.75 67.29 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.857 0.836 . . . . 1.0 109.457 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.463 ' O ' HG12 ' C' ' 107' ' ' VAL . 28.2 mm -75.11 -22.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -38.19 -48.95 1.32 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.123 0.487 . . . . 1.0 110.721 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.7 pt -69.64 -40.73 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.31 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' C' ' 103' ' ' ILE . 89.5 mt -70.68 -34.75 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.318 -0.553 . . . . 1.0 112.296 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.889 HG13 ' H ' ' C' ' 108' ' ' ALA . 9.3 p -82.86 -71.18 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.889 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -38.82 -28.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 1.0 111.516 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' C' ' 105' ' ' ILE . 86.5 t -86.05 -80.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.626 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 47.0 mt -48.72 -24.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.118 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 49.4 m -59.46 -53.68 55.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 1.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.24 -22.44 11.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.338 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.5 -57.44 10.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.6 . . . . 1.0 111.393 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.675 HD12 ' H ' ' C' ' 114' ' ' ILE . 1.8 mp -65.23 -46.55 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.29 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.97 -33.82 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 62.5 tp -71.46 -46.0 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.528 -0.76 . . . . 1.0 109.488 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.1 -21.08 1.7 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.281 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 -26.42 66.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.285 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -63.47 -5.88 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 70.8 t80 -78.98 -98.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.509 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.004 -1.442 . . . . 1.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 m0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.792 0.329 . . . . 1.0 110.675 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -80.1 -29.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.151 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -108.3 41.66 1.52 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.211 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -176.68 -90.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.099 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -68.87 4.44 1.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.382 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TRP . . . -36.36 -34.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.567 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 52.1 p90 -94.32 -41.35 9.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.028 0.442 . . . . 1.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 57.8 ttt-85 -64.81 -26.49 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.02 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.0 -61.27 2.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.745 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.26 -30.3 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.471 -0.786 . . . . 1.0 111.463 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' VAL . . . -89.57 -59.18 1.55 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.002 -0.618 . . . . 1.0 112.118 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 32' ' ' ARG . 5.4 p -47.09 -33.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.171 -0.606 . . . . 1.0 110.541 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.57 -58.84 6.32 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.06 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 35' ' ' GLY . 1.4 m -39.02 -20.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.944 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.56 -54.36 4.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' ALA . 20.1 mt -58.02 -34.78 70.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.027 -0.988 . . . . 1.0 110.062 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.56 61.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.799 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' VAL . 32.8 t -85.89 -44.14 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.6 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 44' ' ' ILE . 15.6 m -57.76 -46.44 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.596 -0.441 . . . . 1.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.587 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.1 tp -73.82 -48.1 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.621 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.587 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -52.31 -34.31 46.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 1.0 110.344 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.18 -44.86 95.66 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.766 -0.457 . . . . 1.0 109.766 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 47' ' ' TRP . 6.4 m0 -73.54 -42.89 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -84.74 171.43 12.32 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.129 -0.323 . . . . 1.0 110.129 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 -150.28 0.3 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.59 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 51' ' ' ASP . 9.3 t -146.93 159.96 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.188 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 30.5 t0 -153.34 -139.29 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.517 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -60.1 -176.91 0.05 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -155.35 19.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.114 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.57 0.3 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.013 0.435 . . . . 1.0 110.186 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 5.1 mmp_? -60.01 -40.5 89.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.542 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 53' ' ' ILE . 54.8 t -45.92 -31.99 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.213 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.64 -51.06 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.609 -0.437 . . . . 1.0 109.882 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -55.28 -49.08 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.989 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' MET . 85.5 mt -66.86 -55.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 1.0 109.92 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.23 -36.41 3.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.05 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -62.58 -59.85 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.43 -27.43 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.098 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ILE . 27.4 ttp -58.79 -40.32 83.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.94 -34.75 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG22 HG21 ' C' ' 38' ' ' VAL . 12.2 t -61.61 -32.05 52.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.966 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.9 mmm -54.43 -48.73 71.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -50.29 -27.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.814 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.63 -27.25 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.755 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.21 -52.84 3.54 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.775 0.321 . . . . 1.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' MET . 35.8 mm -63.81 -58.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' C' ' 74' ' ' ALA . 2.6 tp -52.54 -35.74 54.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.74 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.39 -9.8 59.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.118 0.485 . . . . 1.0 109.964 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.4 p -88.04 -49.71 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.474 -0.785 . . . . 1.0 110.161 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' B' ' 71' ' ' LEU . . . -58.33 -49.27 77.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.806 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.499 ' CG2' ' HB1' ' C' ' 74' ' ' ALA . 10.4 pt -66.64 -14.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.123 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -93.98 -34.68 12.95 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.86 -42.93 65.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.902 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 79' ' ' VAL . 20.0 m -83.28 -27.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.678 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.85 -106.9 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.012 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.45 -54.76 2.47 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.795 0.294 . . . . 1.0 111.795 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' H ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER 64.84 138.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.846 0.355 . . . . 1.0 110.049 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -96.44 -37.04 4.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 60.2 p 53.86 84.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 1.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -52.89 164.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -83.54 -14.99 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.729 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.29 -10.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.911 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.76 102.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.1 tp -174.81 -49.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.693 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.62 30.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.183 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.63 170.09 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' SD ' ' A' ' 96' ' ' MET . 35.3 ptt85 -86.46 -23.28 26.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.984 0.421 . . . . 1.0 110.179 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.5 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.29 -28.18 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.921 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.87 -40.56 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 1.0 110.649 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' A' ' 96' ' ' MET . 1.1 mpt? -70.21 -44.33 68.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -64.61 -34.33 89.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.2 p -49.86 -32.3 14.07 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.933 0.397 . . . . 1.0 111.208 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.413 ' CB ' ' SD ' ' B' ' 66' ' ' MET . . . -95.03 -52.39 4.24 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -58.14 -24.17 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.328 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.8 p -68.44 -60.21 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.555 -0.458 . . . . 1.0 110.138 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' A' ' 101' ' ' VAL . 12.7 mt -52.21 -44.75 64.93 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.704 -0.798 . . . . 1.0 109.516 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 106' ' ' ILE . 31.5 mt -74.45 -24.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -41.82 -49.86 4.4 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.847 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.9 pt -62.64 -38.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 103' ' ' ILE . 22.4 mm -72.51 -30.59 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 120.589 -0.444 . . . . 1.0 110.913 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 109' ' ' VAL . 92.7 t -65.36 -77.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.067 0.461 . . . . 1.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.41 -24.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.468 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' VAL . 91.2 t -87.28 -84.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 1.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.43 ' H ' HG23 ' A' ' 110' ' ' ILE . 1.7 pp -47.46 -25.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.099 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.6 m -59.31 -52.81 64.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.888 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.89 -30.97 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.106 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.75 -59.07 5.72 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.258 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 115' ' ' LEU . 14.7 tt -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.952 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.453 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.7 tp -57.15 -49.99 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.488 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.196 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.66 -20.53 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.75 -24.69 66.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.735 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -62.65 -15.5 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.984 -179.324 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 92.5 t80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.012 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' B' ' 30' ' ' ALA . 38.6 m0 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.785 0.326 . . . . 1.0 110.696 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.718 ' N ' HD12 ' B' ' 26' ' ' ILE . 1.9 mp -80.21 -28.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.185 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.24 41.54 1.54 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.206 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.63 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.857 0.361 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 4.45 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.192 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 25' ' ' TRP . . . -36.4 -34.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 1.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 52.0 p90 -94.36 -41.41 9.43 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.121 0.486 . . . . 1.0 110.574 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.569 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 57.8 ttt-85 -64.71 -26.48 68.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.059 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.01 -61.41 2.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.698 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.2 -30.28 49.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.441 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.637 ' O ' HG22 ' B' ' 38' ' ' VAL . . . -89.64 -59.18 1.55 Allowed Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.037 -0.602 . . . . 1.0 112.052 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.487 HG12 ' O ' ' B' ' 32' ' ' ARG . 5.4 p -47.0 -33.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 122.199 -0.589 . . . . 1.0 110.516 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.58 -58.95 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.637 HG22 ' O ' ' B' ' 35' ' ' GLY . 1.4 m -38.82 -20.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.926 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.67 -54.27 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 37' ' ' ALA . 20.2 mt -58.08 -34.8 70.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.135 -0.939 . . . . 1.0 109.998 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.69 -25.57 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 1.0 111.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 38' ' ' VAL . 33.3 t -85.83 -44.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 111.678 0.251 . . . . 1.0 111.678 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' B' ' 44' ' ' ILE . 15.7 m -57.8 -46.3 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.758 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.596 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.1 tp -73.94 -48.03 40.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.58 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.596 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -52.39 -34.22 46.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.318 . . . . 1.0 110.382 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.5 t -62.28 -44.65 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.836 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' B' ' 47' ' ' TRP . 6.6 m0 -73.67 -42.93 60.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.542 HD22 ' N ' ' B' ' 48' ' ' LEU . 3.8 mm? -84.73 171.51 12.27 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.64 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 51' ' ' ASP . 9.2 t -146.88 159.97 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 30.3 t0 -153.32 -139.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.484 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -60.18 -176.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.595 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -155.4 19.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.196 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -28.7 0.28 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.034 0.445 . . . . 1.0 110.183 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' B' ' 55' ' ' ARG . 5.0 mmp_? -59.9 -40.64 89.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.576 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' B' ' 53' ' ' ILE . 54.6 t -45.86 -31.85 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.226 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 57' ' ' LEU . 1.0 OUTLIER -60.82 -50.95 71.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 109.874 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -55.43 -49.02 73.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.912 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.87 -55.48 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.32 -36.39 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.98 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.44 -59.92 4.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 -27.46 41.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.128 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ttp -58.69 -40.37 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.02 -34.76 63.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.478 HG22 HG21 ' A' ' 38' ' ' VAL . 12.0 t -61.44 -32.09 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.0 109.987 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 44.2 mmm -54.47 -48.68 71.51 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.36 -27.91 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.325 -0.55 . . . . 1.0 109.774 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.64 -27.21 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.863 0.319 . . . . 1.0 111.863 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.23 -52.77 3.56 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.713 0.292 . . . . 1.0 111.332 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' MET . 35.7 mm -63.75 -58.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.5 -0.555 . . . . 1.0 109.5 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 74' ' ' ALA . 2.6 tp -52.51 -35.75 53.78 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.287 -0.565 . . . . 1.0 109.69 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.4 -9.79 59.06 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 121.183 0.516 . . . . 1.0 110.002 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 77' ' ' ALA . 1.4 p -88.06 -49.63 6.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.22 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' C' ' 71' ' ' LEU . . . -58.29 -49.45 77.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.752 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.497 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 10.6 pt -66.53 -14.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.142 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.01 -34.7 12.93 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.57 -50.0 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.83 -42.96 65.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.964 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 79' ' ' VAL . 19.7 m -83.35 -26.9 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.683 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.86 -106.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.44 -54.8 2.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.405 HD11 HD12 ' C' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.38 -37.2 4.89 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p 53.89 84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 1.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.83 164.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.04 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -83.64 -14.91 50.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.652 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -55.23 -10.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.957 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.72 102.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.193 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.0 tp -174.7 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.61 30.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.171 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.6 170.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.473 ' O ' ' SD ' ' B' ' 96' ' ' MET . 35.2 ptt85 -86.53 -23.12 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.015 0.436 . . . . 1.0 110.192 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.45 72.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.482 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -66.28 -28.21 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.93 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.81 -40.59 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 1.0 110.747 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.1 mpt? -70.18 -44.37 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 1.0 109.982 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.515 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -64.64 -34.28 89.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.3 p -49.92 -32.25 14.26 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.898 0.38 . . . . 1.0 111.176 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . 0.418 ' CB ' ' SD ' ' C' ' 66' ' ' MET . . . -94.99 -52.38 4.26 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -58.28 -24.03 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.31 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.705 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.8 p -68.49 -60.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.188 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.705 ' N ' HG13 ' B' ' 101' ' ' VAL . 13.7 mt -52.11 -44.92 64.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.76 -0.776 . . . . 1.0 109.405 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 106' ' ' ILE . 31.4 mt -74.47 -24.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.158 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -41.83 -49.88 4.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.816 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.462 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -62.59 -38.1 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 103' ' ' ILE . 22.4 mm -72.42 -30.67 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.926 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 93.4 t -65.36 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.994 0.426 . . . . 1.0 110.492 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.43 -24.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 91.9 t -87.24 -84.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 1.0 110.744 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.44 -25.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.041 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 59.9 m -59.28 -52.82 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.864 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.88 -30.87 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.158 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.8 -59.06 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.3 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.443 HG23 ' N ' ' B' ' 115' ' ' LEU . 14.7 tt -64.67 -40.26 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.987 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 114' ' ' ILE . 9.1 tp -57.39 -49.84 74.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.378 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 9.5 mp -71.57 -47.17 56.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.081 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.68 -20.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 1.0 110.682 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.71 -24.66 66.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' B' ' 116' ' ' LEU . 0.3 OUTLIER -62.71 -15.49 53.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.949 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.423 ' N ' ' CD2' ' B' ' 119' ' ' HIS . 92.4 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.955 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' C' ' 30' ' ' ALA . 38.6 m0 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.729 0.299 . . . . 1.0 110.685 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.716 HD12 ' N ' ' C' ' 26' ' ' ILE . 1.9 mp -80.18 -28.96 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.13 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' C' ' 27' ' ' ASN . 0.8 OUTLIER -108.4 41.58 1.54 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.138 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.62 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.075 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.81 4.44 1.48 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.256 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' C' ' 25' ' ' TRP . . . -36.36 -34.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 1.0 111.607 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 52.1 p90 -94.38 -41.39 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.0 110.602 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.572 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 57.9 ttt-85 -64.78 -26.53 68.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.993 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.97 -61.33 2.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.725 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.25 -30.25 49.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.508 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.641 ' O ' HG22 ' C' ' 38' ' ' VAL . . . -89.7 -59.12 1.54 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.064 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.477 HG12 ' O ' ' C' ' 32' ' ' ARG . 5.4 p -46.97 -33.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.216 -0.579 . . . . 1.0 110.571 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.55 -58.9 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.039 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.641 HG22 ' O ' ' C' ' 35' ' ' GLY . 1.4 m -38.91 -20.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.979 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.59 -54.33 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' C' ' 37' ' ' ALA . 20.3 mt -58.11 -34.77 70.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.098 -0.956 . . . . 1.0 109.945 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.53 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.765 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 38' ' ' VAL . 33.1 t -85.82 -44.23 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.65 0.241 . . . . 1.0 111.65 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.457 HG23 ' N ' ' C' ' 44' ' ' ILE . 15.7 m -57.73 -46.27 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.794 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.593 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.1 tp -73.96 -48.11 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.47 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.593 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -52.29 -34.33 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 1.0 110.397 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.26 -44.72 95.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.852 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . 0.537 ' CD1' ' N ' ' C' ' 47' ' ' TRP . 6.4 m0 -73.6 -42.84 61.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.604 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.543 HD22 ' N ' ' C' ' 48' ' ' LEU . 3.8 mm? -84.76 171.48 12.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.76 0.314 . . . . 1.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.58 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . 0.414 HG12 ' N ' ' C' ' 51' ' ' ASP . 9.3 t -146.85 159.99 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 30.6 t0 -153.33 -139.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.584 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -60.14 -176.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.2 OUTLIER -155.36 19.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.167 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -28.58 0.3 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.119 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.427 ' N ' ' HE ' ' C' ' 55' ' ' ARG . 5.0 mmp_? -59.91 -40.53 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.634 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 53' ' ' ILE . 54.7 t -45.98 -31.88 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.246 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.574 HD13 ' O ' ' C' ' 57' ' ' LEU . 1.1 tm? -60.69 -51.02 71.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 1.0 109.896 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 58' ' ' LEU . 0.2 OUTLIER -55.36 -49.05 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.953 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.91 -55.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.942 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 28.3 t -45.29 -36.39 4.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.995 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.61 -59.74 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.49 -27.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.109 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 27.4 ttp -58.69 -40.42 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.89 -34.73 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.494 HG22 HG21 ' B' ' 38' ' ' VAL . 11.8 t -61.69 -31.98 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.019 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.512 ' O ' ' N ' ' C' ' 70' ' ' ILE . 44.3 mmm -54.47 -48.69 71.48 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.35 -27.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.365 -0.534 . . . . 1.0 109.782 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.79 -27.09 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.792 0.294 . . . . 1.0 111.792 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -98.2 -52.85 3.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.726 0.298 . . . . 1.0 111.303 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' C' ' 66' ' ' MET . 35.9 mm -63.74 -58.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' B' ' 74' ' ' ALA . 2.6 tp -52.43 -35.73 52.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.151 -0.619 . . . . 1.0 109.757 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.36 -9.86 59.14 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.12 0.486 . . . . 1.0 110.008 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.448 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 p -88.03 -49.64 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.196 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -58.33 -49.39 77.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.817 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.503 ' CG2' ' HB1' ' B' ' 74' ' ' ALA . 10.5 pt -66.68 -14.27 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.08 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.05 -34.58 12.95 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.73 -50.0 72.81 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.428 -0.805 . . . . 1.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.8 -43.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.856 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.33 -26.99 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.76 -106.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -104.41 -54.81 2.46 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.808 0.299 . . . . 1.0 111.808 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.404 HD11 HD12 ' A' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.894 0.378 . . . . 1.0 110.056 -178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.36 -37.03 4.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p 53.86 84.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.729 0.299 . . . . 1.0 110.521 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.85 164.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.046 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -83.65 -14.86 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.685 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.34 -10.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.947 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.78 102.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.121 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.1 tp -174.74 -48.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.78 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.67 30.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.184 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.66 170.13 0.05 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.459 ' O ' ' SD ' ' C' ' 96' ' ' MET . 35.3 ptt85 -86.52 -23.2 25.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 110.172 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.32 72.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.467 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -66.33 -28.26 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.78 -40.55 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 1.0 110.713 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.1 mpt? -70.3 -44.38 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.525 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -64.57 -34.3 89.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.1 p -49.9 -32.28 14.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 1.0 111.22 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 66' ' ' MET . . . -94.98 -52.32 4.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -58.28 -24.14 58.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.256 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.9 p -68.44 -60.18 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.165 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' C' ' 101' ' ' VAL . 12.6 mt -52.17 -44.8 64.81 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.685 -0.806 . . . . 1.0 109.464 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' C' ' 106' ' ' ILE . 31.6 mt -74.44 -24.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.167 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -41.73 -49.93 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.854 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.458 ' O ' HG23 ' C' ' 109' ' ' VAL . 2.9 pt -62.62 -38.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' C' ' 103' ' ' ILE . 22.4 mm -72.55 -30.55 34.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.514 -0.474 . . . . 1.0 110.909 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 93.5 t -65.37 -77.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.03 0.443 . . . . 1.0 110.466 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.54 -23.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.488 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 91.3 t -87.27 -84.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.54 -25.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.12 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -59.33 -52.89 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.831 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.74 -31.01 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.144 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.8 -58.98 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.461 -0.496 . . . . 1.0 111.24 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.459 HG23 ' N ' ' C' ' 115' ' ' LEU . 14.8 tt -64.78 -40.27 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.859 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.459 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.8 tp -57.17 -50.0 74.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.427 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.099 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.74 -20.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.979 0.419 . . . . 1.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 20.0 t -66.67 -24.7 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.8 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.3 OUTLIER -62.65 -15.55 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.949 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.4 t80 43.67 -88.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.951 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 m0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 1.0 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.23 -13.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.85 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.883 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 30' ' ' ALA . 88.7 mt-10 -139.0 -41.4 0.47 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -62.29 1.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 1.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -44.0 -21.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.705 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' ' SD ' ' C' ' 96' ' ' MET . 53.4 m-85 -72.2 -49.95 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.362 0.601 . . . . 1.0 109.518 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.38 -32.12 73.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.14 -65.46 0.66 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.4 mt-10 -40.7 -32.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.895 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.67 7.73 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -49.5 -37.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -8.92 27.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.219 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.612 HG22 HD22 ' B' ' 64' ' ' LEU . 59.6 t -94.38 -23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.635 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.4 mp -90.2 -62.51 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.064 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.2 mp -49.24 -41.93 39.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.85 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.72 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.583 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' VAL . 89.6 t -76.38 -38.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.0 t -47.03 -43.3 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.484 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.97 -45.42 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.151 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -64.79 -54.12 36.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -62.08 -56.61 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.767 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.79 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' ALA . 29.4 mt -102.07 -146.48 0.36 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.393 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.44 -150.17 0.46 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 50' ' ' VAL . 10.2 m -97.98 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.452 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' H ' HD11 ' B' ' 53' ' ' ILE . 17.4 t70 -161.75 -147.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -83.23 -174.57 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.233 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' C' ' 51' ' ' ASP . 36.6 pt -64.51 -28.76 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.74 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ILE . 67.8 p -35.52 -28.63 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.932 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.608 HH21 HD12 ' B' ' 57' ' ' LEU . 27.5 ttp85 -79.47 -49.26 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.361 0.6 . . . . 1.0 110.162 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ILE . 2.5 t -72.02 -36.01 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.934 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.597 HD12 HH21 ' C' ' 55' ' ' ARG . 5.2 tp -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.7 tp -48.2 -44.78 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.837 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' B' ' 64' ' ' LEU . 49.3 mt -76.94 -47.18 28.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.341 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 61' ' ' SER . 6.1 p -46.8 -55.71 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.714 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 60' ' ' SER . 38.8 p -63.53 -56.5 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.407 . . . . 1.0 110.362 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' LEU . 54.7 t -50.73 -37.62 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.158 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 15.7 tmm? -68.79 -44.52 73.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.765 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 HG22 ' C' ' 38' ' ' VAL . 9.5 mt -55.91 -51.86 66.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.724 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 p -63.09 -30.91 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.33 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.496 ' HB2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.8 -39.5 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.079 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.48 -39.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -87.58 -33.61 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.971 -0.292 . . . . 1.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.5 mt-10 -88.63 -81.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.6 -0.44 . . . . 1.0 110.457 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 66' ' ' MET . 13.6 mt -38.6 -51.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.102 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.2 tp -50.3 -37.11 34.8 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 119.39 -0.924 . . . . 1.0 109.792 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.8 t-20 -79.58 -13.97 59.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.181 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.7 t -90.09 -56.11 3.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.758 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 71' ' ' LEU . 7.1 tt -50.95 -37.0 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.704 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -86.17 -23.99 26.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.364 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.07 -53.13 61.74 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.423 -0.511 . . . . 1.0 109.708 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.01 -33.3 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.54 -24.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.826 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -80.47 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.496 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 82' ' ' ILE . 76.0 mtt85 -104.02 -58.96 1.8 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.405 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER 164.85 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.749 0.656 . . . . 1.0 109.575 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.497 ' H ' ' CG1' ' A' ' 82' ' ' ILE . . . 110.84 6.35 26.56 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 114.937 -1.029 . . . . 1.0 110.588 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -152.61 91.81 1.61 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' TYR . 10.6 pt-20 -92.81 -43.91 8.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.869 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 55.9 m-85 -86.1 -25.32 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.814 0.34 . . . . 1.0 111.296 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.527 ' CG ' ' OG ' ' A' ' 84' ' ' SER . 55.2 m80 -55.87 -62.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.527 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.71 92.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.681 0.277 . . . . 1.0 111.006 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -172.0 -53.46 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.688 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 91' ' ' GLY . 13.9 t -69.31 23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.44 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.87 171.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -89.63 -19.69 24.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.6 -51.59 58.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.778 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.92 69.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.306 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' OG ' ' A' ' 98' ' ' SER . 50.9 m-20 -47.36 -35.09 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.554 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' B' ' 31' ' ' PHE . 23.8 mtt -78.85 -46.67 18.14 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.442 -0.503 . . . . 1.0 110.181 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.07 -35.71 92.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.325 -1.11 . . . . 1.0 110.325 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 23.4 p -54.52 -26.87 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 1.0 111.281 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.97 -51.13 5.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -21.95 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.983 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.5 t -67.43 -65.97 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.798 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.24 -46.42 72.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.665 0.745 . . . . 1.0 109.718 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.4 mp -67.44 -20.23 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.233 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -45.41 -49.66 13.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.762 0.315 . . . . 1.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 1.0 110.004 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.31 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.024 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 109' ' ' VAL . 87.5 t -67.47 -73.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.62 -24.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.412 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 107' ' ' VAL . 86.0 t -92.98 -87.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 1.0 110.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.11 -35.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.307 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 12.0 m -59.68 -53.52 57.01 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.485 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 112' ' ' TRP . 15.2 t-105 -57.55 -28.21 63.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.79 -57.53 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' H ' ' A' ' 114' ' ' ILE . 1.9 tp -65.78 -46.74 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.443 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.88 -36.76 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.03 -49.08 39.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.744 . . . . 1.0 110.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -63.89 -34.29 77.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.413 ' OG ' HD12 ' B' ' 48' ' ' LEU . 6.8 t -59.22 -37.42 77.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -64.89 -44.26 90.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.643 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 42.1 m0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.812 0.339 . . . . 1.0 110.823 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.36 -13.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.83 -63.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.921 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 88.5 mt-10 -139.0 -41.58 0.47 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.029 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -62.42 1.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 1.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -44.02 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.65 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 53.7 m-85 -72.14 -49.96 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.325 0.583 . . . . 1.0 109.474 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.43 -32.01 73.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.116 -0.947 . . . . 1.0 109.811 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.2 -65.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 38' ' ' VAL . 77.9 mt-10 -40.55 -32.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.021 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -55.59 7.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.49 -37.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.104 -0.332 . . . . 1.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -9.02 27.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.615 HG22 HD22 ' C' ' 64' ' ' LEU . 59.5 t -94.41 -22.84 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.731 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.577 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.4 mp -90.24 -62.54 1.44 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.068 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.542 HD12 ' N ' ' B' ' 40' ' ' LEU . 9.2 mp -49.26 -41.94 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.84 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.7 76.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.612 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 38' ' ' VAL . 90.5 t -76.45 -38.55 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.8 t -46.98 -43.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.508 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.93 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.979 0.419 . . . . 1.0 110.205 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -64.71 -54.27 34.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.94 -56.69 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.781 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.71 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' B' ' 45' ' ' ALA . 29.6 mt -102.16 -146.56 0.36 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.329 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.34 -150.22 0.46 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.91 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.443 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' C' ' 53' ' ' ILE . 17.5 t70 -161.8 -147.27 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -83.16 -174.62 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.304 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.566 HD11 ' H ' ' A' ' 51' ' ' ASP . 36.9 pt -64.38 -28.83 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.776 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.418 ' C ' ' O ' ' B' ' 53' ' ' ILE . 69.6 p -35.47 -28.66 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.942 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.614 HH21 HD12 ' C' ' 57' ' ' LEU . 27.7 ttp85 -79.61 -49.13 12.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.095 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 53' ' ' ILE . 2.5 t -72.03 -36.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.902 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.608 HD12 HH21 ' A' ' 55' ' ' ARG . 5.1 tp -47.99 -47.69 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 62' ' ' VAL . 6.6 tp -48.21 -44.91 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.804 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' C' ' 64' ' ' LEU . 49.0 mt -76.85 -47.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' B' ' 61' ' ' SER . 6.0 p -46.84 -55.71 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.715 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' B' ' 60' ' ' SER . 39.0 p -63.53 -56.47 15.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 1.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 58' ' ' LEU . 54.6 t -50.7 -37.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' B' ' 63' ' ' MET . 15.7 tmm? -68.81 -44.45 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.769 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.612 HD22 HG22 ' A' ' 38' ' ' VAL . 9.4 mt -55.95 -51.94 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.682 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' B' ' 69' ' ' GLU . 6.4 p -63.03 -30.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.294 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.48 ' HB2' HD12 ' B' ' 70' ' ' ILE . 0.0 OUTLIER -62.74 -39.58 94.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.015 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.5 -39.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.65 -33.52 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.643 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' ASN . 31.6 mt-10 -88.79 -81.35 0.27 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 73' ' ' SER . 13.6 mt -38.55 -51.45 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.058 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 75' ' ' ILE . 6.1 tp -50.18 -37.23 33.83 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 119.423 -0.911 . . . . 1.0 109.775 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.7 t-20 -79.57 -13.97 59.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.035 0.445 . . . . 1.0 110.21 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 70' ' ' ILE . 2.7 t -90.02 -56.05 3.38 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.742 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.411 HG22 ' O ' ' B' ' 71' ' ' LEU . 7.0 tt -51.0 -36.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.4 -0.818 . . . . 1.0 109.694 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.32 -23.9 26.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.368 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.08 -53.24 60.53 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.95 -33.33 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.5 -24.26 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.825 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -80.47 -110.04 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.412 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.893 ' O ' HG23 ' B' ' 82' ' ' ILE . 75.9 mtt85 -104.0 -58.97 1.8 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.359 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.893 HG23 ' O ' ' B' ' 81' ' ' ARG . 0.6 OUTLIER 164.8 -90.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 121.412 0.625 . . . . 1.0 109.589 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.484 ' H ' ' CG1' ' B' ' 82' ' ' ILE . . . 110.83 6.32 26.6 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.657 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.532 ' HG ' ' CG ' ' B' ' 87' ' ' HIS . 0.2 OUTLIER -152.51 91.72 1.61 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.711 -0.477 . . . . 1.0 109.711 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' B' ' 86' ' ' TYR . 10.6 pt-20 -92.8 -43.79 8.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.909 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.436 ' N ' ' CG ' ' B' ' 85' ' ' GLU . 56.0 m-85 -86.12 -25.44 25.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.777 0.323 . . . . 1.0 111.256 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.532 ' CG ' ' HG ' ' B' ' 84' ' ' SER . 55.8 m80 -55.75 -62.22 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.486 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -39.75 92.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.762 0.315 . . . . 1.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.2 OUTLIER -171.98 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.745 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 14.0 t -69.3 23.35 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.404 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.85 171.62 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.65 -19.67 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.069 0.462 . . . . 1.0 109.878 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.62 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.868 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.93 69.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.212 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.439 ' O ' ' OG ' ' B' ' 98' ' ' SER . 51.3 m-20 -47.37 -35.1 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.527 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.583 ' SD ' ' CD1' ' C' ' 31' ' ' PHE . 24.3 mtt -78.79 -46.75 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.474 -0.491 . . . . 1.0 110.22 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.531 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.03 -35.71 92.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.273 -1.131 . . . . 1.0 110.273 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 23.1 p -54.64 -26.9 35.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.52 0.2 . . . . 1.0 111.152 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.95 -51.04 5.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.643 -0.503 . . . . 1.0 109.643 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.0 65.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.5 t -67.41 -65.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 120.984 -0.286 . . . . 1.0 110.75 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.2 -46.48 72.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.674 0.749 . . . . 1.0 109.705 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.495 HD12 ' N ' ' B' ' 103' ' ' ILE . 1.4 mp -67.47 -20.28 26.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.155 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -45.42 -49.61 13.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.031 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.9 -42.43 94.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.994 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.2 -30.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.029 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 109' ' ' VAL . 87.3 t -67.4 -72.91 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.798 -0.445 . . . . 1.0 109.798 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.72 -24.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.597 -0.729 . . . . 1.0 111.477 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 107' ' ' VAL . 86.1 t -92.95 -87.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 1.0 110.525 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 mt -45.2 -35.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.288 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 11.8 m -59.65 -53.6 56.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . 0.436 ' O ' ' CD1' ' B' ' 112' ' ' TRP . 15.3 t-105 -57.52 -28.17 63.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.76 -57.62 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.075 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.69 -46.74 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.462 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.93 -36.78 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.864 -0.791 . . . . 1.0 108.864 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.09 -48.98 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.359 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -64.0 -34.17 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . 0.411 ' OG ' HD12 ' C' ' 48' ' ' LEU . 6.9 t -59.26 -37.51 77.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.642 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.639 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.579 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 m0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.754 0.311 . . . . 1.0 110.719 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.33 -13.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.97 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.917 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' C' ' 30' ' ' ALA . 88.4 mt-10 -139.03 -41.39 0.47 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.873 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -62.31 1.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 1.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -44.0 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.636 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.583 ' CD1' ' SD ' ' B' ' 96' ' ' MET . 53.2 m-85 -72.22 -50.01 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.372 0.606 . . . . 1.0 109.473 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.44 -32.01 73.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.062 -0.972 . . . . 1.0 109.827 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.19 -65.35 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 77.8 mt-10 -40.79 -32.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.886 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.02 -55.67 7.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -49.4 -37.44 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.095 -0.335 . . . . 1.0 110.095 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.14 -8.99 27.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.205 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.611 HG22 HD22 ' A' ' 64' ' ' LEU . 59.2 t -94.39 -22.92 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.579 ' N ' HD12 ' C' ' 39' ' ' LEU . 9.4 mp -90.14 -62.76 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.073 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.524 ' N ' HD12 ' C' ' 40' ' ' LEU . 9.2 mp -48.94 -42.1 36.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.854 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.62 76.61 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.617 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 38' ' ' VAL . 91.0 t -76.4 -38.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.06 -43.2 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.448 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.92 -45.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 1.0 110.189 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -64.66 -54.29 34.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.02 -56.68 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.743 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -54.65 -53.7 51.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.506 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.411 HD12 ' OG ' ' B' ' 118' ' ' SER . 29.5 mt -102.27 -146.49 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.5 -150.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.526 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 m -97.91 -179.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' A' ' 53' ' ' ILE . 17.3 t70 -161.88 -147.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -83.23 -174.57 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.311 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' B' ' 51' ' ' ASP . 36.4 pt -64.44 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.685 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' C' ' 53' ' ' ILE . 67.8 p -35.43 -28.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.9 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.597 HH21 HD12 ' A' ' 57' ' ' LEU . 27.7 ttp85 -79.46 -49.27 12.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.3 0.571 . . . . 1.0 110.176 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' C' ' 53' ' ' ILE . 2.5 t -71.93 -36.11 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.963 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.614 HD12 HH21 ' B' ' 55' ' ' ARG . 5.1 tp -47.89 -47.77 31.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.924 -0.399 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.487 ' O ' HG23 ' C' ' 62' ' ' VAL . 6.6 tp -48.05 -45.09 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.774 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 64' ' ' LEU . 48.8 mt -76.75 -47.31 28.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.407 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' C' ' 61' ' ' SER . 5.9 p -46.69 -55.69 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.745 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . 0.444 ' N ' ' OG ' ' C' ' 60' ' ' SER . 40.1 p -63.59 -56.4 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 1.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.487 HG23 ' O ' ' C' ' 58' ' ' LEU . 54.7 t -50.71 -37.77 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.104 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' C' ' 63' ' ' MET . 15.7 tmm? -68.66 -44.57 73.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.615 HD22 HG22 ' B' ' 38' ' ' VAL . 9.4 mt -55.83 -51.94 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.74 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.465 ' CG2' ' OE2' ' C' ' 69' ' ' GLU . 6.4 p -63.05 -30.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.39 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.488 ' HB2' HD12 ' C' ' 70' ' ' ILE . 0.0 OUTLIER -62.78 -39.5 94.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.116 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.38 -39.76 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 37.3 t -87.6 -33.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.673 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' C' ' 72' ' ' ASN . 31.5 mt-10 -88.72 -81.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.468 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' C' ' 66' ' ' MET . 13.5 mt -38.57 -51.42 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.992 -0.283 . . . . 1.0 111.08 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.418 ' O ' HG22 ' C' ' 75' ' ' ILE . 6.2 tp -50.3 -37.05 34.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 119.421 -0.912 . . . . 1.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.7 t-20 -79.66 -13.99 59.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.145 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.461 ' N ' ' O ' ' C' ' 70' ' ' ILE . 2.7 t -90.0 -56.13 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.553 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -51.72 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.418 HG22 ' O ' ' C' ' 71' ' ' LEU . 7.1 tt -50.87 -37.01 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.741 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.29 -23.84 26.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.402 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.1 -53.18 61.19 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.452 -0.499 . . . . 1.0 109.727 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.02 -33.25 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.894 -0.78 . . . . 1.0 108.894 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -24.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.834 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.48 -110.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.441 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.892 ' O ' HG23 ' C' ' 82' ' ' ILE . 75.9 mtt85 -103.91 -59.0 1.79 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.39 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.892 HG23 ' O ' ' C' ' 81' ' ' ARG . 0.6 OUTLIER 164.78 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.443 0.64 . . . . 1.0 109.627 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.487 ' H ' ' CG1' ' C' ' 82' ' ' ILE . . . 110.92 6.24 26.5 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.613 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.522 ' OG ' ' CG ' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -152.48 91.83 1.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' C' ' 86' ' ' TYR . 10.7 pt-20 -92.86 -43.87 8.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.904 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' C' ' 85' ' ' GLU . 56.0 m-85 -86.13 -25.3 25.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.78 0.324 . . . . 1.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.522 ' CG ' ' OG ' ' C' ' 84' ' ' SER . 55.3 m80 -55.85 -62.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.593 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.9 92.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 1.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.2 OUTLIER -171.97 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.783 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' C' ' 91' ' ' GLY . 14.0 t -69.38 23.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.404 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.82 171.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.669 -0.973 . . . . 1.0 110.669 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.59 -19.7 24.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.164 0.507 . . . . 1.0 109.935 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.54 59.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.838 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -67.96 -29.97 69.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.222 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . 0.427 ' O ' ' OG ' ' C' ' 98' ' ' SER . 51.2 m-20 -47.23 -35.18 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.601 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD1' ' A' ' 31' ' ' PHE . 24.1 mtt -78.72 -46.8 18.18 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.197 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.535 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.93 -35.84 92.52 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 1.0 110.335 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 23.4 p -54.49 -26.88 34.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.548 0.213 . . . . 1.0 111.223 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.08 -22.04 65.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.982 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.535 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.6 t -67.33 -65.91 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.791 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.28 -46.42 72.71 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.638 0.732 . . . . 1.0 109.73 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.487 ' O ' HG23 ' C' ' 107' ' ' VAL . 1.4 mp -67.52 -20.06 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.398 -0.819 . . . . 1.0 110.254 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -45.63 -49.58 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.886 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.92 -42.43 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.0 109.942 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.21 -30.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.995 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 109' ' ' VAL . 88.7 t -67.3 -73.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.53 -24.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.49 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' C' ' 107' ' ' VAL . 86.4 t -92.93 -87.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.818 0.342 . . . . 1.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.13 -35.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.119 -0.492 . . . . 1.0 111.309 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 12.0 m -59.63 -53.57 56.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.581 -0.447 . . . . 1.0 110.504 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' C' ' 112' ' ' TRP . 15.4 t-105 -57.52 -28.23 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.8 -57.61 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.025 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.422 ' H ' HG22 ' C' ' 114' ' ' ILE . 1.9 tp -65.72 -46.76 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.86 -36.79 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 24.3 tp -71.96 -49.13 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -63.91 -34.36 77.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.44 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . 0.41 ' OG ' HD12 ' A' ' 48' ' ' LEU . 6.9 t -59.17 -37.49 77.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 1.0 110.674 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' C' ' 121' ' ' GLY . 21.6 m170 -64.83 -44.34 90.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.651 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.47 -86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.878 0.37 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -57.89 -20.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.232 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -107.02 42.84 1.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 168.98 -72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.682 0.614 . . . . 1.0 109.591 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 4.74 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.01 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -38.96 -32.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.444 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 21.0 t80 -91.33 -46.09 8.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 1.0 110.77 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.64 -25.38 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.029 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.4 tt0 -59.86 -59.03 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.371 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -95.01 -48.05 2.53 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.3 t -56.28 -40.49 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 122.749 -0.265 . . . . 1.0 111.112 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.15 -71.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 1.0 110.513 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 p -39.97 -18.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.712 -0.676 . . . . 1.0 111.087 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -87.3 -55.95 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.643 -0.873 . . . . 1.0 108.643 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.8 tp -66.82 -34.9 78.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.623 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.28 63.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.982 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.3 t -89.25 -37.72 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.659 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.44 -47.88 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.79 -47.14 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -55.07 -36.59 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.6 m -62.68 -46.0 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.986 0.422 . . . . 1.0 110.01 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.68 -26.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.2 mt -139.68 -67.95 0.43 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ALA . 15.1 t0 64.9 87.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.959 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -153.22 14.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.458 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -49.9 152.94 1.43 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.27 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.13 -65.34 1.02 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.617 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.3 m -46.46 -45.69 18.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.9 -47.39 71.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.58 -45.13 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.396 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.03 -50.66 35.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.377 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD12 ' CG2' ' C' ' 107' ' ' VAL . 3.5 mm? -51.17 -51.47 53.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 15.1 mm -63.12 -56.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.206 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.9 -52.54 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -64.85 -62.96 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.23 -30.43 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.975 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.412 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 24.7 ttm -63.37 -34.41 77.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.383 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.04 -48.15 69.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.025 0.441 . . . . 1.0 109.835 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.28 -33.77 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.397 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' GLU . 26.8 mtt -61.65 -45.42 94.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mm -45.1 -24.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.274 -0.571 . . . . 1.0 110.056 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.91 -31.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 1.0 110.732 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 66' ' ' MET . 27.6 mt-10 -93.44 -55.34 3.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.526 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 73' ' ' SER . 49.1 mt -65.71 -58.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.518 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -52.02 -35.68 47.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.094 -0.642 . . . . 1.0 109.708 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t-20 -71.31 -13.83 62.01 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -90.64 -53.07 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.14 -0.936 . . . . 1.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.88 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.469 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.4 pp -52.72 -39.75 32.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.573 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 80' ' ' ASP . 18.5 tt0 -82.55 -24.51 33.98 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.313 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.75 -52.25 66.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 t -53.17 -32.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 t -85.83 -25.03 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.103 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.9 m-20 -77.84 -102.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.441 0.534 . . . . 1.0 112.441 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 82' ' ' ILE . 82.2 mtt-85 -101.55 -10.1 20.41 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.128 0.418 . . . . 1.0 112.128 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.7 tt 34.62 98.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.002 0.43 . . . . 1.0 111.493 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.61 69.34 0.39 Allowed Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -166.9 30.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 1.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.48 -68.96 0.74 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.787 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -47.68 -32.36 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.739 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.64 -10.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -132.0 94.12 3.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.3 tp -106.27 -23.35 12.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.511 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.7 p -70.68 39.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.764 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.12 167.6 0.06 OUTLIER Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 96' ' ' MET . 28.6 ptt-85 -86.12 -21.71 27.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.077 0.465 . . . . 1.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.86 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' GLY . 68.4 tttt -66.77 -32.66 74.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -41.48 -36.72 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.834 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 96' ' ' MET . 1.3 mpt? -73.53 -44.6 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.511 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.12 -37.3 93.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -50.12 -31.5 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.617 0.246 . . . . 1.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB2' ' OE2' ' B' ' 69' ' ' GLU . . . -94.76 -51.1 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.771 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -58.89 -24.35 62.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.789 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.5 p -73.12 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.227 0.455 . . . . 1.0 112.227 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.3 tp -59.15 -44.14 92.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 1.0 111.09 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.01 -19.26 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.906 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -57.4 -41.2 79.85 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.256 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 109' ' ' VAL . 25.0 mt -62.12 -46.84 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.577 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.2 mp -75.87 -30.03 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.85 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 109' ' ' VAL . 45.3 t -83.24 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.637 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' ALA . . . -27.69 -36.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.435 0.459 . . . . 1.0 112.005 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.868 HG23 ' H ' ' A' ' 110' ' ' ILE . 30.3 m -81.11 -66.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.795 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.868 ' H ' HG23 ' A' ' 109' ' ' VAL . 22.8 mt -51.35 -24.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 120.64 0.257 . . . . 1.0 110.321 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 115' ' ' LEU . 8.8 m -59.54 -53.85 53.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -68.29 -23.71 64.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.059 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.66 -58.31 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.219 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 114' ' ' ILE . 1.3 mp -67.18 -41.18 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 111' ' ' THR . 5.7 mp -56.36 -36.06 68.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 9.3 tp -71.68 -40.16 69.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.97 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -53.22 -20.7 4.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.03 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 120' ' ' PHE . 3.2 m -62.22 -28.07 69.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.445 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.03 -0.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.68 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 118' ' ' SER . 76.8 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.539 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' B' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.867 0.365 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.85 -20.82 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.24 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -107.01 42.9 1.22 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.361 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 168.97 -72.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.622 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.13 4.85 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.978 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.438 ' O ' ' OE2' ' B' ' 34' ' ' GLU . . . -38.95 -32.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 1.0 111.462 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' B' ' 31' ' ' PHE . 20.8 t80 -91.31 -46.16 8.2 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.42 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.033 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' B' ' 35' ' ' GLY . 55.4 tt0 -59.86 -58.99 6.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -41.29 -23.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -95.06 -48.06 2.51 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.39 -40.3 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.575 0.226 . . . . 1.0 111.136 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.17 -71.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 1.0 110.47 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 42' ' ' VAL . 4.4 p -39.8 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.175 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.0 tp -87.41 -55.8 3.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tp -66.82 -34.83 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.255 -0.884 . . . . 1.0 110.647 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.45 -24.24 62.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.956 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.2 t -89.23 -37.62 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.683 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -55.48 -47.85 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.78 -47.16 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.466 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 49' ' ' ASP . . . -55.12 -36.51 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 48' ' ' LEU . 68.6 m -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.941 0.4 . . . . 1.0 110.007 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -40.65 -26.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 46' ' ' CYS . 12.2 mt -139.69 -67.85 0.43 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 45' ' ' ALA . 14.9 t0 64.67 87.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.013 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -153.35 14.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -49.89 153.01 1.41 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.25 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.24 -65.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.385 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.64 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 54.7 m -46.4 -45.79 18.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.85 -47.37 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -45.07 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -48.97 -50.7 34.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.936 0.398 . . . . 1.0 110.397 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.521 HD12 ' CG2' ' A' ' 107' ' ' VAL . 3.5 mm? -51.11 -51.42 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 63' ' ' MET . 15.0 mm -63.21 -56.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.8 t -48.88 -52.56 23.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.74 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -65.06 -62.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.007 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.29 -30.34 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.915 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' B' ' 59' ' ' ILE . 24.7 ttm -63.55 -34.34 77.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.37 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.06 -48.12 69.23 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.25 -33.88 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.322 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.49 ' O ' ' N ' ' B' ' 69' ' ' GLU . 26.7 mtt -61.74 -45.35 94.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.8 mm -45.13 -24.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.923 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 12.0 t -90.92 -31.68 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.711 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 66' ' ' MET . 27.6 mt-10 -93.4 -55.22 3.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.567 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' B' ' 66' ' ' MET . 49.0 mt -65.88 -58.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.4 tp -52.19 -35.61 49.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.683 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' B' ' 72' ' ' ASN . 2.1 t-20 -71.33 -13.74 61.97 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.368 0.604 . . . . 1.0 109.496 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.467 ' O ' ' N ' ' B' ' 77' ' ' ALA . 3.5 t -90.76 -53.01 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.502 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.81 66.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.534 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.4 pp -52.83 -39.64 32.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.766 -0.774 . . . . 1.0 109.553 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 80' ' ' ASP . 18.3 tt0 -82.53 -24.56 34.01 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.315 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.21 66.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.401 HG23 ' H ' ' B' ' 78' ' ' VAL . 18.6 t -53.16 -32.23 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.681 -0.69 . . . . 1.0 109.299 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.87 -24.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.154 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 76' ' ' GLU . 64.3 m-20 -78.0 -101.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.41 0.522 . . . . 1.0 112.41 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 82' ' ' ILE . 82.4 mtt-85 -101.57 -10.09 20.4 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.5 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 121.102 0.477 . . . . 1.0 111.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.53 69.25 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -166.91 30.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 1.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -89.57 -68.93 0.75 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -47.61 -32.37 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.59 -10.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.734 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -132.04 94.22 3.43 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.497 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.1 tp -106.05 -23.79 12.54 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -70.41 39.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.27 167.69 0.07 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' B' ' 96' ' ' MET . 28.6 ptt-85 -86.29 -21.7 27.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.036 0.446 . . . . 1.0 109.875 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.41 -50.9 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.629 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 97' ' ' GLY . 68.5 tttt -66.73 -32.68 74.14 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.861 -0.335 . . . . 1.0 110.686 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -41.38 -36.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.932 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' B' ' 96' ' ' MET . 1.3 mpt? -73.57 -44.58 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.806 -0.442 . . . . 1.0 109.806 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.13 -37.4 94.07 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 59.7 m -50.04 -31.41 12.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.64 0.257 . . . . 1.0 111.59 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . 0.423 ' HB2' ' OE2' ' C' ' 69' ' ' GLU . . . -94.87 -51.14 4.82 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.787 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -59.04 -24.14 62.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.817 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.4 p -73.29 -60.24 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.995 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.9 pp -76.41 -19.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.0 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -57.31 -41.27 79.55 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.216 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 109' ' ' VAL . 24.4 mt -61.95 -47.12 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.582 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.515 HD12 ' H ' ' B' ' 106' ' ' ILE . 5.0 mp -75.64 -30.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.889 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 109' ' ' VAL . 44.9 t -83.18 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.649 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -27.75 -36.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.498 0.499 . . . . 1.0 111.973 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.847 HG23 ' H ' ' B' ' 110' ' ' ILE . 30.2 m -81.22 -66.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.847 ' H ' HG23 ' B' ' 109' ' ' VAL . 23.0 mt -51.38 -24.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 1.0 110.328 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.452 ' O ' HD13 ' B' ' 115' ' ' LEU . 8.5 m -59.5 -54.02 51.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.786 0.327 . . . . 1.0 110.73 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -68.29 -23.73 64.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.044 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.61 -58.26 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.241 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.3 mp -67.28 -41.18 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.764 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 111' ' ' THR . 5.7 mp -56.41 -35.99 68.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 119' ' ' HIS . 9.4 tp -71.76 -40.09 69.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.909 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -53.29 -20.59 4.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.073 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 120' ' ' PHE . 3.2 m -62.36 -28.01 69.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.443 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -63.91 -0.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.771 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' B' ' 118' ' ' SER . 76.8 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 4.5 m0 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.912 0.387 . . . . 1.0 110.579 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.02 -20.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.254 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -107.0 42.81 1.24 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 169.05 -72.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.596 0.56 . . . . 1.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.14 4.77 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.992 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.436 ' O ' ' OE2' ' C' ' 34' ' ' GLU . . . -38.84 -32.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 111.471 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' C' ' 31' ' ' PHE . 20.6 t80 -91.4 -46.06 8.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.929 0.395 . . . . 1.0 110.725 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.44 67.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.1 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' C' ' 35' ' ' GLY . 55.4 tt0 -59.9 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.835 -0.802 . . . . 1.0 108.835 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.407 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.96 -48.1 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 76.0 t -56.23 -40.41 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 122.795 -0.238 . . . . 1.0 111.155 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.19 -71.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 1.0 110.525 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.498 ' O ' HG23 ' C' ' 42' ' ' VAL . 4.4 p -39.84 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.118 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.7 tp -87.23 -56.0 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.627 -0.879 . . . . 1.0 108.627 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.2 tp -66.94 -34.74 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.64 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -24.23 62.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.943 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.1 t -89.26 -37.75 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.36 -47.87 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.79 -47.14 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' C' ' 49' ' ' ASP . . . -55.14 -36.47 65.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.653 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' C' ' 48' ' ' LEU . 68.5 m -62.73 -45.94 90.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 1.0 109.989 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.72 -26.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' C' ' 46' ' ' CYS . 12.2 mt -139.64 -67.92 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' C' ' 45' ' ' ALA . 14.9 t0 64.86 87.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.931 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -153.22 14.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.491 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -49.75 152.93 1.35 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.31 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.14 -65.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.41 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.83 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.71 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 55.1 m -46.47 -45.72 18.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.452 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.84 -47.56 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.45 -45.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.04 -50.64 35.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.884 0.373 . . . . 1.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.514 HD12 ' CG2' ' B' ' 107' ' ' VAL . 3.5 mm? -51.25 -51.32 55.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' C' ' 63' ' ' MET . 15.0 mm -63.22 -56.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.216 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.86 -52.65 23.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -64.92 -62.84 1.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.29 -30.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.96 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' C' ' 59' ' ' ILE . 24.6 ttm -63.64 -34.24 77.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.34 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -48.18 69.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.031 0.444 . . . . 1.0 109.864 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.31 -33.88 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.378 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.494 ' O ' ' N ' ' C' ' 69' ' ' GLU . 26.9 mtt -61.61 -45.35 94.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.14 -24.55 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.393 -0.523 . . . . 1.0 109.95 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.94 -31.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 66' ' ' MET . 27.6 mt-10 -93.48 -55.32 3.33 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.5 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' C' ' 73' ' ' SER . 49.4 mt -65.79 -58.17 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.51 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.5 tp -52.05 -35.73 48.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.733 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' C' ' 72' ' ' ASN . 2.1 t-20 -71.25 -13.83 62.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.316 0.579 . . . . 1.0 109.453 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.6 t -90.64 -53.19 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.472 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.93 66.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.514 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.4 pp -52.71 -39.57 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.619 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' C' ' 80' ' ' ASP . 18.6 tt0 -82.65 -24.57 33.71 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.854 -0.338 . . . . 1.0 110.271 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.8 -52.16 66.61 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 t -53.2 -32.31 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.245 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.86 -24.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.551 -0.75 . . . . 1.0 111.118 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' C' ' 76' ' ' GLU . 64.1 m-20 -77.85 -101.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.437 0.532 . . . . 1.0 112.437 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' C' ' 82' ' ' ILE . 82.3 mtt-85 -101.57 -10.12 20.38 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 34.53 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.064 0.459 . . . . 1.0 111.553 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.56 69.27 0.39 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 m -166.87 30.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 1.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -89.45 -68.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.76 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -47.68 -32.41 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.706 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -56.55 -10.32 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -132.0 94.2 3.44 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.522 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.1 tp -105.95 -23.86 12.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 21.4 p -70.49 39.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 56.01 167.57 0.06 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.686 -0.966 . . . . 1.0 110.686 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' C' ' 96' ' ' MET . 28.6 ptt-85 -86.09 -21.72 27.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.987 0.423 . . . . 1.0 109.929 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.82 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 97' ' ' GLY . 68.4 tttt -66.82 -32.62 74.02 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.725 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -41.41 -36.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.873 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.3 mpt? -73.61 -44.55 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.504 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.2 -37.31 93.89 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 59.3 m -50.1 -31.4 13.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 1.0 111.591 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . 0.428 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . . . -94.78 -51.2 4.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.793 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -58.89 -24.37 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.632 -0.713 . . . . 1.0 111.801 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.4 p -73.15 -60.14 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.3 tp -58.93 -44.46 91.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.0 111.06 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.86 -19.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.918 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -57.25 -41.26 79.28 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.485 ' O ' HG22 ' C' ' 109' ' ' VAL . 25.2 mt -62.15 -46.79 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.593 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.508 ' H ' HD12 ' C' ' 106' ' ' ILE . 5.1 mp -75.9 -30.11 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.774 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' C' ' 109' ' ' VAL . 44.9 t -83.18 -73.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.601 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -27.7 -36.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.477 0.486 . . . . 1.0 112.0 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.873 HG23 ' H ' ' C' ' 110' ' ' ILE . 30.1 m -81.19 -66.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . 0.873 ' H ' HG23 ' C' ' 109' ' ' VAL . 23.3 mt -51.26 -24.67 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.671 0.272 . . . . 1.0 110.406 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.445 ' O ' HD13 ' C' ' 115' ' ' LEU . 8.6 m -59.57 -53.95 52.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.865 0.364 . . . . 1.0 110.766 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -68.21 -23.7 64.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.115 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.69 -58.3 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.184 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.3 mp -67.15 -41.32 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.767 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.445 HD13 ' O ' ' C' ' 111' ' ' THR . 5.7 mp -56.37 -35.94 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' C' ' 119' ' ' HIS . 9.3 tp -71.72 -40.16 69.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.96 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -53.17 -20.67 4.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.081 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . 0.413 ' C ' ' H ' ' C' ' 120' ' ' PHE . 3.3 m -62.38 -27.97 69.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' C' ' 116' ' ' LEU . 0.0 OUTLIER -64.04 -0.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.704 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 76.8 t80 -52.73 166.34 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.51 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.719 0 CA-C-O 117.906 -1.497 . . . . 1.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.664 ' HE1' ' NE2' ' A' ' 33' ' ' GLN . 8.1 t-105 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.936 0.398 . . . . 1.0 110.794 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 23.6 pt -92.36 -22.76 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.553 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.31 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.494 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.477 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -73.5 5.75 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.838 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' C' ' 96' ' ' MET . . . -40.27 -36.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.165 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 32' ' ' ARG . 33.8 p90 -84.57 -49.19 8.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.539 . . . . 1.0 110.799 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.605 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 14.3 ttm180 -62.73 -23.29 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.943 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.664 ' NE2' ' HE1' ' A' ' 25' ' ' TRP . 52.9 tt0 -59.26 -61.28 2.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -26.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.276 -0.875 . . . . 1.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.44 -46.86 3.4 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.449 -0.66 . . . . 1.0 111.449 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.9 t -46.74 -33.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.464 -0.433 . . . . 1.0 110.155 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.61 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.479 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -35.58 -24.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.311 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' ALA . 8.8 tp -89.96 -49.72 6.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -61.31 -36.73 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.282 -0.872 . . . . 1.0 110.46 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.98 -26.06 62.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 38' ' ' VAL . 23.7 t -76.61 -42.28 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.041 -0.264 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -47.14 -46.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 1.0 110.223 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.98 -39.35 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.406 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -51.86 -51.44 56.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.2 t -56.08 -49.15 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.462 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' ALA . 2.6 pp -160.85 135.28 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 29.6 p-10 -110.64 71.62 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.8 p -158.4 130.32 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.497 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.08 113.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.01 171.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.168 0.508 . . . . 1.0 111.045 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' THR . 2.4 pp -44.61 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.003 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.69 0.07 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.739 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.468 HH21 ' CD1' ' B' ' 57' ' ' LEU . 50.6 ttp85 -79.89 -47.89 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.783 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.4 t -62.66 -32.4 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD1' HH21 ' C' ' 55' ' ' ARG . 8.7 tp -48.76 -49.8 36.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.93 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.9 mm? -48.97 -51.7 29.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.89 -26.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.057 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -76.16 -55.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 1.0 110.304 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 p -64.76 -58.39 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 58' ' ' LEU . 3.0 p -49.86 -36.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.711 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 63' ' ' MET . 14.2 tmm? -68.21 -40.67 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 1.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -62.08 -53.44 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.687 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -34.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' VAL . 5.5 mmt -68.67 -26.95 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.796 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 64' ' ' LEU . 3.2 tt -55.33 -36.08 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 68' ' ' VAL . 3.8 m -85.29 -21.19 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' SER . 26.8 mm-40 -97.08 -79.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.899 -0.408 . . . . 1.0 109.899 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' SER . 2.2 mm -39.68 -60.31 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.9 tp -52.34 -40.02 61.42 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.4 t-20 -75.56 -10.22 59.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.334 0.588 . . . . 1.0 109.677 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.0 m -91.11 -51.65 5.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.16 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.91 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.6 pt -48.79 -36.99 8.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 119.951 -0.7 . . . . 1.0 109.321 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.2 mt-10 -82.95 -25.3 32.48 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.108 -0.33 . . . . 1.0 110.108 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -54.87 42.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.768 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.04 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.091 0.472 . . . . 1.0 109.803 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.65 -31.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.281 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLU . 9.1 m-20 -83.44 -108.1 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.577 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.74 ' H ' ' NH2' ' C' ' 92' ' ' ARG . 39.0 ttm-85 -104.3 6.24 35.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.179 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.85 -112.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.83 -143.02 5.65 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.611 -0.996 . . . . 1.0 110.611 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.49 81.17 8.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 1.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.87 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.91 -31.78 25.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.43 -34.55 77.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.46 110.62 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.0 tp -173.79 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.8 m -72.53 34.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.67 169.58 0.05 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.744 ' NH2' ' H ' ' B' ' 81' ' ' ARG . 12.3 ttm180 -85.44 -25.21 27.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.957 0.408 . . . . 1.0 110.322 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.99 -51.05 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.39 73.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.788 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.37 -40.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 1.0 110.985 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.52 ' HB2' ' HB1' ' B' ' 30' ' ' ALA . 41.0 mtt -74.61 -44.54 50.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.344 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.82 -35.88 92.44 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -52.79 -28.14 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.853 0.359 . . . . 1.0 110.809 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.15 -54.11 3.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.17 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 97' ' ' GLY . 3.6 t -66.28 -64.04 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.302 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.44 -47.4 66.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.185 0.517 . . . . 1.0 110.526 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 107' ' ' VAL . 17.8 mm -70.56 -21.21 22.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.692 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.57 -49.82 5.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.95 -38.77 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ILE . 24.4 mm -70.31 -31.1 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.507 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' VAL . 82.3 t -67.34 -77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.998 0.427 . . . . 1.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.37 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.703 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 107' ' ' VAL . 36.7 t -95.4 -83.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.639 0.257 . . . . 1.0 111.237 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.6 mm -45.58 -43.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.328 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.4 m -61.26 -47.35 86.42 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.419 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -66.87 -32.34 73.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.97 0.414 . . . . 1.0 110.073 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.84 -57.9 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -67.1 -40.8 86.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.54 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.77 -31.48 62.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 118' ' ' SER . 6.8 tp -71.54 -34.72 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.198 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.18 -20.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.084 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 116' ' ' LEU . 29.5 m -50.95 -22.81 2.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.501 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 6.1 p80 -62.74 -24.2 67.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.68 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.501 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 90.7 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.714 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.657 ' HE1' ' NE2' ' B' ' 33' ' ' GLN . 8.2 t-105 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.948 0.404 . . . . 1.0 110.773 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 23.8 pt -92.32 -22.66 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.641 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -108.39 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 29' ' ' ALA . 3.7 tm-20 -179.12 -81.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.488 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' B' ' 28' ' ' GLU . . . -73.59 5.75 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 96' ' ' MET . . . -40.11 -36.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.175 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.607 ' CG ' ' N ' ' B' ' 32' ' ' ARG . 33.8 p90 -84.52 -49.08 8.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.288 0.566 . . . . 1.0 110.841 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.607 ' N ' ' CG ' ' B' ' 31' ' ' PHE . 14.3 ttm180 -62.77 -23.42 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.895 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.657 ' NE2' ' HE1' ' B' ' 25' ' ' TRP . 53.0 tt0 -59.16 -61.28 2.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.579 -0.897 . . . . 1.0 108.579 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -40.97 -26.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.309 -0.86 . . . . 1.0 110.604 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -92.42 -46.79 3.42 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.507 -0.637 . . . . 1.0 111.507 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -46.78 -33.99 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.207 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.6 -66.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.541 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -35.6 -24.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.305 -178.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' ALA . 8.8 tp -89.9 -49.69 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.9 tp -61.38 -36.58 80.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.534 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.09 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.251 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 38' ' ' VAL . 23.9 t -76.54 -42.3 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.683 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.02 -46.53 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 1.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 44' ' ' ILE . 18.7 pt -75.03 -39.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.405 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -51.86 -51.39 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.17 -49.18 74.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.968 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -54.96 -32.41 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' B' ' 45' ' ' ALA . 2.5 pp -160.83 135.23 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 49' ' ' ASP . 29.7 p-10 -110.6 71.58 0.75 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.443 ' O ' HG13 ' B' ' 50' ' ' VAL . 10.9 p -158.28 130.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.05 113.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.354 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.51 171.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.147 0.499 . . . . 1.0 111.016 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.4 pp -44.62 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.029 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.422 ' C ' ' O ' ' B' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.76 0.07 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.379 0.425 . . . . 1.0 110.786 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.456 HH21 ' CD1' ' C' ' 57' ' ' LEU . 50.8 ttp85 -79.87 -47.89 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.748 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 53' ' ' ILE . 11.3 t -62.5 -32.41 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.468 ' CD1' HH21 ' A' ' 55' ' ' ARG . 8.8 tp -48.87 -49.7 38.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.893 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.534 ' O ' HG12 ' B' ' 62' ' ' VAL . 3.9 mm? -49.03 -51.72 29.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 1.0 109.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.02 -26.65 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 1.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -64.88 -58.37 6.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.083 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.534 HG12 ' O ' ' B' ' 58' ' ' LEU . 3.0 p -49.91 -36.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.689 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 63' ' ' MET . 14.2 tmm? -68.33 -40.73 81.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 1.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.518 ' O ' HG22 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -62.02 -53.48 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.49 -34.16 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' B' ' 62' ' ' VAL . 5.5 mmt -68.74 -26.85 65.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.735 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 64' ' ' LEU . 3.2 tt -55.47 -36.03 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.635 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' VAL . 3.8 m -85.34 -21.11 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.74 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' B' ' 73' ' ' SER . 26.6 mm-40 -97.09 -79.37 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 73' ' ' SER . 2.2 mm -39.73 -60.23 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.9 tp -52.45 -39.9 61.61 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.322 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.5 t-20 -75.72 -10.13 59.18 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.29 0.567 . . . . 1.0 109.647 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.9 m -91.02 -51.71 5.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.629 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.2 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.887 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' B' ' 71' ' ' LEU . 35.5 pt -48.77 -36.98 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.347 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 80' ' ' ASP . 53.3 mt-10 -82.96 -25.21 32.52 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.152 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.4 -54.91 41.64 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.464 -0.495 . . . . 1.0 110.779 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.02 22.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.872 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.65 -31.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.34 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' B' ' 76' ' ' GLU . 9.2 m-20 -83.4 -108.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.619 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.744 ' H ' ' NH2' ' A' ' 92' ' ' ARG . 39.2 ttm-85 -104.36 6.28 35.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 13.0 mt 64.93 -112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.81 -142.96 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -85.5 81.21 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.286 . . . . 1.0 110.52 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.94 22.01 0.98 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.482 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.97 25.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.18 -34.62 77.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.944 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.43 110.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.8 tp -173.58 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.749 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -72.44 34.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.5 169.6 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' C' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.27 27.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.902 0.382 . . . . 1.0 110.312 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.1 69.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.74 -32.45 73.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.76 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.35 -40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 1.0 110.882 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' C' ' 30' ' ' ALA . 41.0 mtt -74.54 -44.56 50.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.361 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.82 -35.97 92.55 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 29.0 t -52.76 -28.13 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 1.0 110.791 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.13 -54.12 3.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.28 -21.35 59.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 97' ' ' GLY . 3.6 t -66.22 -64.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.392 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.47 -47.27 66.6 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 1.0 110.582 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.462 HG22 HG23 ' B' ' 107' ' ' VAL . 18.0 mm -70.64 -21.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.696 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.53 -49.8 5.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.835 -0.346 . . . . 1.0 110.831 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.401 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -64.0 -38.77 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' B' ' 103' ' ' ILE . 24.2 mm -70.2 -31.22 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.604 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' B' ' 109' ' ' VAL . 82.8 t -67.3 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-O 121.066 0.46 . . . . 1.0 110.621 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.41 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.776 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 107' ' ' VAL . 36.5 t -95.46 -83.22 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.252 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.52 -43.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.37 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.32 -47.34 86.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.8 -32.39 73.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 1.0 110.111 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.82 -57.9 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.687 HD13 ' O ' ' B' ' 114' ' ' ILE . 0.2 OUTLIER -67.07 -40.71 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.591 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.82 -31.58 62.82 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' B' ' 118' ' ' SER . 6.7 tp -71.37 -34.84 70.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.204 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -46.24 -20.51 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.181 0.515 . . . . 1.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . 0.431 ' N ' ' C ' ' B' ' 116' ' ' LEU . 28.7 m -50.94 -22.73 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.973 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 6.1 p80 -62.86 -24.19 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.606 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.487 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 90.7 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.65 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.657 ' HE1' ' NE2' ' C' ' 33' ' ' GLN . 8.2 t-105 . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.893 0.377 . . . . 1.0 110.774 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 23.8 pt -92.35 -22.77 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.29 42.57 1.35 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' C' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.515 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' C' ' 28' ' ' GLU . . . -73.6 5.66 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' B' ' 96' ' ' MET . . . -40.15 -36.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.389 -0.368 . . . . 1.0 111.232 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' C' ' 32' ' ' ARG . 34.0 p90 -84.61 -49.0 8.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.249 0.547 . . . . 1.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.608 ' N ' ' CG ' ' C' ' 31' ' ' PHE . 14.3 ttm180 -62.79 -23.47 67.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.89 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.657 ' NE2' ' HE1' ' C' ' 25' ' ' TRP . 53.0 tt0 -59.18 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -40.94 -26.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.41 -46.89 3.4 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.467 -0.653 . . . . 1.0 111.467 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.8 t -46.84 -33.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 122.427 -0.455 . . . . 1.0 110.147 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.75 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.497 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.605 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -35.57 -24.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.319 -178.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' C' ' 37' ' ' ALA . 7.3 tp -90.01 -49.59 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.6 tp -61.14 -36.87 80.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.08 63.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.386 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' C' ' 38' ' ' VAL . 23.7 t -76.54 -42.31 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.658 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -47.04 -46.48 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.025 0.44 . . . . 1.0 110.237 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.412 HG12 ' H ' ' C' ' 44' ' ' ILE . 18.8 pt -75.05 -39.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.397 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -51.91 -51.37 57.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 45.7 t -56.17 -49.14 74.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.969 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.08 -32.34 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.467 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ALA . 2.6 pp -160.81 135.27 7.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' C' ' 49' ' ' ASP . 29.8 p-10 -110.63 71.44 0.75 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.581 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . 0.433 ' O ' HG13 ' C' ' 50' ' ' VAL . 10.8 p -158.24 130.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.09 112.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.393 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.88 171.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 1.0 111.074 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' C' ' 54' ' ' THR . 2.3 pp -44.62 -37.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 1.0 111.003 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . 0.424 ' C ' ' O ' ' C' ' 53' ' ' ILE . 0.9 OUTLIER -34.23 -39.81 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.763 -179.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.466 HH21 ' CD1' ' A' ' 57' ' ' LEU . 50.7 ttp85 -79.74 -47.89 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.823 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 53' ' ' ILE . 11.6 t -62.61 -32.34 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.456 ' CD1' HH21 ' B' ' 55' ' ' ARG . 8.7 tp -48.89 -49.77 38.21 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.976 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.52 ' O ' HG12 ' C' ' 62' ' ' VAL . 3.9 mm? -48.82 -51.86 27.21 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.88 -26.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -76.07 -55.23 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.956 0.408 . . . . 1.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.2 p -64.77 -58.42 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.132 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.52 HG12 ' O ' ' C' ' 58' ' ' LEU . 3.0 p -49.91 -36.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.697 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' C' ' 63' ' ' MET . 14.2 tmm? -68.4 -40.67 81.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.0 110.73 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.512 ' O ' HG22 ' C' ' 67' ' ' ILE . 0.2 OUTLIER -62.01 -53.46 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.36 -34.3 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.535 -0.466 . . . . 1.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' C' ' 62' ' ' VAL . 5.5 mmt -68.65 -26.97 65.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.758 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.512 HG22 ' O ' ' C' ' 64' ' ' LEU . 3.2 tt -55.39 -36.0 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.769 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.31 -21.15 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.508 -0.477 . . . . 1.0 110.737 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' C' ' 73' ' ' SER . 26.7 mm-40 -97.11 -79.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' C' ' 73' ' ' SER . 2.2 mm -39.71 -60.3 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.593 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.9 tp -52.32 -40.05 61.39 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 119.899 -0.72 . . . . 1.0 109.366 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.5 t-20 -75.64 -10.09 59.14 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.307 0.575 . . . . 1.0 109.679 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.9 m -91.07 -51.63 5.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.449 -0.796 . . . . 1.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.593 HG23 ' O ' ' C' ' 71' ' ' LEU . 35.7 pt -48.85 -36.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 119.81 -0.756 . . . . 1.0 109.356 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 80' ' ' ASP . 53.1 mt-10 -82.97 -25.22 32.49 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.13 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.84 42.46 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.829 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.35 -31.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.848 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.67 -31.06 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.302 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 76' ' ' GLU . 9.2 m-20 -83.43 -108.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.596 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.735 ' H ' ' NH2' ' B' ' 92' ' ' ARG . 39.1 ttm-85 -104.3 6.2 35.14 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.144 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.86 -112.74 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.86 -142.98 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.46 81.08 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.33 . . . . 1.0 110.557 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.84 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.521 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.78 25.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.4 -34.53 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.33 110.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' C' ' 91' ' ' GLY . 6.9 tp -173.71 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.754 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 66.1 m -72.45 34.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.57 169.58 0.05 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.74 ' NH2' ' H ' ' A' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.24 27.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 1.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.06 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.643 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.41 73.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.39 -40.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 1.0 110.912 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.496 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 41.2 mtt -74.59 -44.51 50.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.367 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.572 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.83 -36.01 92.59 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -52.68 -28.17 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 1.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.22 -54.03 3.99 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.17 59.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.572 HG23 ' O ' ' C' ' 97' ' ' GLY . 3.6 t -66.27 -64.03 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.361 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.4 -47.26 66.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.298 0.57 . . . . 1.0 110.666 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.461 HG22 HG23 ' C' ' 107' ' ' VAL . 17.9 mm -70.77 -21.11 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -42.58 -49.87 5.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.758 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.9 -38.79 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' C' ' 103' ' ' ILE . 24.4 mm -70.29 -31.17 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.541 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 109' ' ' VAL . 81.6 t -67.33 -77.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.978 0.418 . . . . 1.0 110.624 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.46 -26.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.773 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' C' ' 107' ' ' VAL . 36.7 t -95.41 -83.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.254 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.55 -43.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.333 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -61.32 -47.33 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.371 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.0 110.14 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -65.85 -57.99 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.921 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' C' ' 114' ' ' ILE . 0.2 OUTLIER -67.06 -40.81 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.7 -31.62 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' C' ' 118' ' ' SER . 6.8 tp -71.46 -34.82 70.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.14 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.16 -20.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 110.075 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . 0.435 ' N ' ' C ' ' C' ' 116' ' ' LEU . 29.3 m -50.87 -22.88 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.953 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 6.0 p80 -62.74 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.654 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 90.8 t80 45.36 -93.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.722 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 117.991 -1.45 . . . . 1.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 1.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 26' ' ' ILE . 92.6 mt -72.38 -13.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.444 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -61.38 -62.04 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.632 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' ALA . 35.1 tt0 -124.97 -44.7 1.91 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' HH21 ' A' ' 32' ' ' ARG . . . -65.23 4.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.693 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -41.42 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.0 t80 -76.09 -48.99 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 ' HB2' ' A' ' 29' ' ' ALA . 88.2 mtm-85 -63.21 -33.5 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.72 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 36' ' ' VAL . 1.7 tp-100 -59.44 -63.96 1.12 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 tt0 -35.8 -31.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.068 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -76.8 -43.36 18.27 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.507 -1.037 . . . . 1.0 110.507 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' GLN . 80.9 t -48.51 -45.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -12.95 60.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.003 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 34' ' ' GLU . 95.6 t -93.16 -31.66 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.682 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.01 -62.86 1.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.728 0.299 . . . . 1.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.06 -39.42 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.888 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.12 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.771 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 76.1 t -77.83 -39.57 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.741 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -47.28 -38.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 1.0 110.411 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -73.9 -43.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.68 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.443 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.37 -39.41 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.623 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -102.28 -168.24 1.51 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.376 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.14 -0.96 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -156.75 133.97 10.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.463 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.79 -178.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.327 0.584 . . . . 1.0 111.672 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 56' ' ' VAL . 2.2 pp -50.89 -38.7 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.93 . . . . 1.0 110.957 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ILE . 82.6 p -35.03 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.022 0.439 . . . . 1.0 110.633 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ILE . 45.7 ttp85 -80.55 -48.23 13.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.197 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' ILE . 4.0 t -66.14 -39.12 83.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.641 -0.709 . . . . 1.0 111.058 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.5 tt -47.62 -46.05 28.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 62' ' ' VAL . 16.0 mt -47.87 -45.81 30.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.46 HD12 HD11 ' B' ' 64' ' ' LEU . 14.4 mm -73.24 -26.47 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.201 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -69.77 -55.72 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.6 -60.43 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.197 0.523 . . . . 1.0 111.038 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.612 HG12 HD12 ' C' ' 103' ' ' ILE . 11.3 m -50.42 -33.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.05 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' A' ' 66' ' ' MET . 24.5 tpp -68.38 -47.06 68.39 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.398 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HD12 ' C' ' 59' ' ' ILE . 3.5 mp -54.19 -52.62 60.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.161 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 16.8 m -62.19 -33.18 57.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -62.57 -44.38 96.46 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.75 -46.98 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.0 t -83.88 -34.14 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 112.299 0.481 . . . . 1.0 112.299 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 mp0 -92.09 -79.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.411 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 70' ' ' ILE . 21.2 mm -41.57 -55.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.142 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.6 tp -53.75 -36.75 62.69 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 119.224 -0.99 . . . . 1.0 109.41 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 59.4 t-20 -79.44 -11.9 59.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.084 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.54 -52.25 4.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.148 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.5 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 109.952 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.8 pt -51.49 -34.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.766 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ASP . 66.7 tt0 -86.76 -26.9 23.93 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.29 -51.48 69.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.13 -32.06 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 115.143 -0.935 . . . . 1.0 109.548 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.67 -24.53 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.115 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.8 t0 -82.53 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.661 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ILE . 13.5 ptm180 -106.0 -35.3 7.32 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.824 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.5 tt 36.05 98.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.164 0.506 . . . . 1.0 111.348 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -79.84 -33.32 33.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 83' ' ' GLY . 6.4 m 58.31 119.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 1.0 110.68 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -44.72 153.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.74 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.77 -27.92 28.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.62 -62.44 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.859 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.04 101.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.231 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' GLY . 6.7 tp -155.77 -21.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.76 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -64.91 59.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.555 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 60.72 164.7 0.21 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.55 -19.52 33.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.19 0.519 . . . . 1.0 109.825 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.31 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' GLY . 54.2 tttp -66.91 -35.22 79.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.228 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 30.7 m-20 -41.12 -35.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.979 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.85 -43.22 59.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.212 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.26 -37.01 93.49 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.16 -27.18 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 1.0 110.58 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.9 -53.63 3.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -57.59 -22.75 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.671 -0.695 . . . . 1.0 111.539 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.7 p -74.07 -60.12 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.682 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.4 tp -56.21 -49.27 74.57 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.398 0.618 . . . . 1.0 110.914 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 HG12 ' B' ' 62' ' ' VAL . 3.9 pt -69.2 -18.79 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.309 -0.556 . . . . 1.0 110.442 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.0 -49.0 4.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.059 0.457 . . . . 1.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 106' ' ' ILE . 2.3 tt -67.04 -43.33 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.357 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 105' ' ' ILE . 1.7 mp -67.25 -35.38 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.44 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 109' ' ' VAL . 66.1 t -79.32 -74.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.203 -0.199 . . . . 1.0 110.992 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -35.0 -29.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.958 0.409 . . . . 1.0 111.217 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 107' ' ' VAL . 87.7 t -87.38 -81.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.421 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.0 mm -45.85 -24.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.878 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 62.6 m -59.34 -50.94 72.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.933 0.397 . . . . 1.0 110.159 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.61 -24.34 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.504 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.56 -59.33 5.62 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.819 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.41 -40.4 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.31 73.19 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.77 -43.68 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.432 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.88 -32.32 44.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.127 0.489 . . . . 1.0 110.18 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 m -49.71 -33.8 17.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.73 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.485 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.81 0.338 . . . . 1.0 110.174 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.444 HG22 ' O ' ' B' ' 26' ' ' ILE . 92.8 mt -72.26 -13.88 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.25 -62.06 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.663 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' B' ' 30' ' ' ALA . 35.2 tt0 -124.97 -44.63 1.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.987 0.422 . . . . 1.0 110.469 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.701 ' HB2' HH21 ' B' ' 32' ' ' ARG . . . -65.37 4.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -41.35 -23.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' B' ' 29' ' ' ALA . 23.0 t80 -76.02 -48.89 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.248 0.547 . . . . 1.0 109.734 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' B' ' 29' ' ' ALA . 88.3 mtm-85 -63.31 -33.54 75.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.6 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' B' ' 36' ' ' VAL . 1.7 tp-100 -59.46 -63.92 1.13 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.569 -0.9 . . . . 1.0 108.569 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 38' ' ' VAL . 78.5 tt0 -35.83 -31.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.128 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -76.95 -43.29 17.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.467 -1.053 . . . . 1.0 110.467 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.564 ' N ' ' O ' ' B' ' 33' ' ' GLN . 81.1 t -48.51 -45.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.57 -13.02 60.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.034 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 34' ' ' GLU . 96.1 t -93.15 -31.63 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.68 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.01 -62.85 1.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.73 0.3 . . . . 1.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.0 -39.5 41.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.869 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.21 74.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.743 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 38' ' ' VAL . 76.0 t -77.7 -39.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.688 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -47.23 -38.17 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 1.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.95 -43.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.68 72.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.3 m -60.69 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -43.33 -39.31 3.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.73 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.26 -168.21 1.5 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.421 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.13 -1.02 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.416 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 p -158.49 140.29 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -156.86 133.89 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.445 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.77 -178.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.298 0.571 . . . . 1.0 111.715 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.2 pp -50.9 -38.68 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.996 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 53' ' ' ILE . 82.7 p -34.95 -33.24 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.059 0.457 . . . . 1.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 53' ' ' ILE . 45.7 ttp85 -80.58 -48.31 12.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.131 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 53' ' ' ILE . 4.0 t -66.06 -39.24 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.054 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.5 tt -47.56 -46.12 27.67 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.535 ' O ' HG13 ' B' ' 62' ' ' VAL . 15.9 mt -47.77 -45.86 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.518 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.479 HD12 HD11 ' C' ' 64' ' ' LEU . 14.4 mm -73.19 -26.49 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.251 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.8 -55.75 8.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -60.67 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.155 0.503 . . . . 1.0 110.972 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 103' ' ' ILE . 11.4 m -50.46 -33.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.072 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' B' ' 66' ' ' MET . 24.7 tpp -68.24 -47.2 68.42 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.433 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 59' ' ' ILE . 3.4 mp -54.14 -52.49 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.196 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' B' ' 69' ' ' GLU . 16.6 m -62.37 -33.05 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' B' ' 63' ' ' MET . 0.0 OUTLIER -62.65 -44.38 96.41 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.708 -0.478 . . . . 1.0 109.708 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.3 mt -50.71 -47.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.862 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.72 -34.23 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' B' ' 69' ' ' GLU . 1.1 mp0 -92.06 -79.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.42 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.94 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.142 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.6 tp -53.78 -36.66 62.65 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 119.18 -1.008 . . . . 1.0 109.408 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 72' ' ' ASN . 59.3 t-20 -79.42 -11.88 59.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.118 0.485 . . . . 1.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.56 -52.22 5.01 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.106 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.59 73.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.908 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' LEU . 34.6 pt -51.41 -35.04 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.784 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 66.8 tt0 -86.73 -26.97 23.94 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.53 68.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.1 -32.1 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.526 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.7 -24.41 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.127 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.0 t0 -82.65 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.633 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 82' ' ' ILE . 13.5 ptm180 -105.99 -35.3 7.32 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.5 tt 36.01 98.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.276 0.56 . . . . 1.0 111.331 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -79.8 -33.26 34.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.609 -0.996 . . . . 1.0 110.609 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 83' ' ' GLY . 6.3 m 58.3 119.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.78 153.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.741 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -83.82 -27.86 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.755 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.68 -62.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.0 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 91' ' ' GLY . 6.8 tp -155.83 -21.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.659 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 54.1 m -65.0 59.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.932 0.396 . . . . 1.0 111.543 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 60.72 164.69 0.21 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.52 -19.58 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.095 0.474 . . . . 1.0 109.773 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -50.29 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.558 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' B' ' 97' ' ' GLY . 54.1 tttp -66.8 -35.41 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 1.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 30.9 m-20 -41.04 -35.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.921 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.404 ' HG2' HD11 ' C' ' 70' ' ' ILE . 29.2 mtm -73.81 -43.22 59.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.238 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.489 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.21 -37.04 93.57 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -51.22 -27.15 8.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 1.0 110.583 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.92 -53.55 3.64 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -57.63 -22.81 47.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.446 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.699 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.6 p -74.03 -60.16 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.235 0.457 . . . . 1.0 112.235 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.699 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -55.98 -49.44 73.57 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.36 0.6 . . . . 1.0 110.944 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.613 HD12 HG12 ' C' ' 62' ' ' VAL . 3.9 pt -69.21 -18.71 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.474 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.03 -48.97 4.71 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.094 0.473 . . . . 1.0 110.359 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.475 HG23 HD12 ' B' ' 106' ' ' ILE . 2.3 tt -67.06 -43.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.326 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.475 HD12 HG23 ' B' ' 105' ' ' ILE . 1.7 mp -67.18 -35.43 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.412 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 109' ' ' VAL . 66.7 t -79.33 -73.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 121.19 -0.204 . . . . 1.0 111.016 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -35.01 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.949 0.404 . . . . 1.0 111.253 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 107' ' ' VAL . 87.1 t -87.41 -81.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.4 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.84 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.914 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 62.5 m -59.41 -50.82 72.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.914 0.388 . . . . 1.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.76 -24.17 55.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.55 -59.44 5.44 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.715 -0.394 . . . . 1.0 110.825 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.29 -40.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.538 ' O ' HD23 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -56.53 -39.36 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.69 -43.76 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.411 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -52.92 -32.24 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.987 0.423 . . . . 1.0 110.13 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 36.9 m -49.68 -33.88 16.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.223 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -46.68 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 73.2 t80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.414 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.738 0.304 . . . . 1.0 110.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.438 ' O ' HG22 ' C' ' 26' ' ' ILE . 92.8 mt -72.4 -13.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.39 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.2 -62.05 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' C' ' 30' ' ' ALA . 35.1 tt0 -125.07 -44.62 1.9 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.394 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.677 ' HB2' HH21 ' C' ' 32' ' ' ARG . . . -65.35 4.26 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.587 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -41.38 -23.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' C' ' 29' ' ' ALA . 22.8 t80 -75.99 -48.99 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.204 0.526 . . . . 1.0 109.715 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.677 HH21 ' HB2' ' C' ' 29' ' ' ALA . 88.1 mtm-85 -63.19 -33.59 75.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.628 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' C' ' 36' ' ' VAL . 1.7 tp-100 -59.42 -64.03 1.09 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' C' ' 38' ' ' VAL . 78.5 tt0 -35.78 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.303 -0.862 . . . . 1.0 111.109 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -76.88 -43.31 18.0 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.501 -1.04 . . . . 1.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.56 ' N ' ' O ' ' C' ' 33' ' ' GLN . 81.7 t -48.48 -45.58 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.768 -0.456 . . . . 1.0 109.768 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.9 60.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.039 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' C' ' 34' ' ' GLU . 95.8 t -93.2 -31.61 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.05 -62.8 1.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.723 0.297 . . . . 1.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -49.88 -39.65 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.921 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.24 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 38' ' ' VAL . 76.3 t -77.79 -39.69 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -47.22 -38.15 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 1.0 110.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.03 -43.26 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.545 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.664 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.69 -51.93 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.35 -39.27 3.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.684 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -102.38 -168.17 1.5 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.391 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.19 -0.97 2.67 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.404 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.25 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -156.8 133.88 10.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.385 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.76 -178.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.375 0.607 . . . . 1.0 111.671 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' C' ' 56' ' ' VAL . 2.2 pp -50.82 -38.82 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.951 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' C' ' 53' ' ' ILE . 82.8 p -34.96 -33.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.995 0.426 . . . . 1.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' C' ' 53' ' ' ILE . 45.5 ttp85 -80.51 -48.3 12.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.198 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' C' ' 53' ' ' ILE . 4.0 t -66.09 -39.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 1.0 111.092 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.5 tt -47.55 -46.14 27.57 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' C' ' 62' ' ' VAL . 15.9 mt -47.79 -45.79 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.527 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 64' ' ' LEU . 14.4 mm -73.3 -26.46 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.217 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.76 -55.78 8.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.64 -60.35 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.172 0.51 . . . . 1.0 111.038 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.613 HG12 HD12 ' B' ' 103' ' ' ILE . 11.3 m -50.48 -32.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.045 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.544 ' CE ' ' SD ' ' C' ' 66' ' ' MET . 24.3 tpp -68.43 -47.02 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.368 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.479 HD11 HD12 ' B' ' 59' ' ' ILE . 3.4 mp -54.29 -52.49 61.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.159 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' C' ' 69' ' ' GLU . 16.8 m -62.28 -33.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.59 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.544 ' SD ' ' CE ' ' C' ' 63' ' ' MET . 0.0 OUTLIER -62.6 -44.4 96.39 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -50.74 -47.08 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.803 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.74 -34.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 N-CA-C 112.433 0.531 . . . . 1.0 112.433 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' C' ' 69' ' ' GLU . 1.2 mp0 -92.11 -79.42 0.38 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.42 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' C' ' 70' ' ' ILE . 21.3 mm -41.65 -55.85 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.597 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.6 tp -53.81 -36.73 62.8 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 119.199 -1.001 . . . . 1.0 109.378 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' C' ' 72' ' ' ASN . 59.2 t-20 -79.34 -11.92 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.151 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.5 m -90.58 -52.16 5.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.187 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.51 73.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.153 0.501 . . . . 1.0 109.941 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.597 HG23 ' O ' ' C' ' 71' ' ' LEU . 34.6 pt -51.34 -35.11 15.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.778 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 66.7 tt0 -86.69 -26.96 24.02 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 120.619 0.247 . . . . 1.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.51 69.1 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.045 -0.724 . . . . 1.0 109.045 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -54.11 -32.07 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.521 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.67 -24.5 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 60.9 t0 -82.61 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.621 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 82' ' ' ILE . 13.5 ptm180 -106.01 -35.33 7.3 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.5 tt 36.06 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.218 0.532 . . . . 1.0 111.367 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -79.81 -33.23 34.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' C' ' 83' ' ' GLY . 6.3 m 58.36 119.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 1.0 110.712 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.72 153.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.726 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.73 -28.01 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.753 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.58 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.99 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' C' ' 91' ' ' GLY . 6.7 tp -155.78 -21.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.723 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -64.98 59.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 60.57 164.67 0.2 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.43 -19.64 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 1.0 109.789 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.64 -50.36 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.582 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' C' ' 97' ' ' GLY . 54.2 tttp -66.93 -35.28 79.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.196 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 30.8 m-20 -40.95 -35.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.961 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 70' ' ' ILE . 29.3 mtm -73.81 -43.25 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.407 . . . . 1.0 110.159 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.484 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.15 -37.02 93.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.3 -27.12 8.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.83 -53.65 3.62 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -57.59 -22.78 47.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.685 . . . . 1.0 111.471 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.5 p -74.07 -60.24 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.138 0.422 . . . . 1.0 112.138 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.4 tp -55.99 -49.42 73.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.356 0.598 . . . . 1.0 110.911 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.612 HD12 HG12 ' A' ' 62' ' ' VAL . 3.9 pt -69.14 -18.79 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.99 -49.02 4.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.068 0.461 . . . . 1.0 110.313 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.466 HG23 HD12 ' C' ' 106' ' ' ILE . 2.3 tt -66.97 -43.32 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.422 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.466 HD12 HG23 ' C' ' 105' ' ' ILE . 1.7 mp -67.31 -35.43 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 120.106 -0.637 . . . . 1.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 109' ' ' VAL . 65.9 t -79.29 -73.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.25 -0.18 . . . . 1.0 110.997 -179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -35.02 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.955 0.407 . . . . 1.0 111.235 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' C' ' 107' ' ' VAL . 88.4 t -87.34 -81.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.477 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 44.8 mm -45.83 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.944 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 61.9 m -59.31 -51.01 71.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.087 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.68 -24.24 55.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.503 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.51 -59.38 5.54 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.885 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.32 -40.52 86.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.556 ' O ' HD23 ' C' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.28 73.13 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.8 -43.59 65.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.426 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -52.99 -32.35 45.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 1.0 110.064 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 34.4 m -49.71 -33.78 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.25 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -46.7 85.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.551 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -156.18 141.66 17.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.975 -1.458 . . . . 1.0 110.972 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.986 0.422 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 2.0 pp -56.78 -12.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.373 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -62.25 -64.03 1.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.576 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 30' ' ' ALA . 40.9 tt0 -100.6 -52.62 3.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.012 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 1.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.113 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 26' ' ' ILE . . . -35.39 -38.07 0.09 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.819 0.342 . . . . 1.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 53.2 p90 -91.02 -39.62 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.79 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.994 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 36' ' ' VAL . 44.6 tt0 -59.58 -61.0 2.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.922 -0.77 . . . . 1.0 108.922 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.5 mt-10 -37.69 -33.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.675 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -78.35 -43.56 12.67 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.178 -1.169 . . . . 1.0 110.178 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' GLN . 68.7 t -48.36 -47.01 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.55 -11.75 54.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.841 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 34' ' ' GLU . 89.1 t -93.9 -32.83 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.315 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.45 -62.85 1.37 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.952 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.2 tt -50.82 -37.84 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.281 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.96 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.239 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 71.6 t -87.19 -47.7 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.664 0.269 . . . . 1.0 111.417 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.66 -47.81 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.089 0.471 . . . . 1.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -61.08 -45.52 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.099 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -54.57 -29.12 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.9 m -69.1 -42.24 76.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.002 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.52 -53.59 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.364 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.0 mp -87.1 174.6 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.289 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.56 -150.7 0.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -152.94 173.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.62 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 1.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.05 151.34 0.66 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 pt -135.96 27.03 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 p -60.72 -46.56 89.94 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.308 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.92 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.8 t -60.98 -29.16 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.619 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 tp -49.04 -39.37 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.48 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 HG12 ' C' ' 107' ' ' VAL . 96.6 mt -77.2 -57.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.799 . . . . 1.0 109.334 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -33.53 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 77.5 p -64.47 -62.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.5 . . . . 1.0 109.83 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.5 t -62.79 -27.29 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.818 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ttp -57.32 -38.39 73.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -53.95 -34.68 60.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -53.66 -30.92 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.996 179.26 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' GLU . 45.8 mtt -56.08 -49.95 72.36 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.462 ' H ' HG23 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -47.03 -24.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.618 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -27.52 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.13 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 66' ' ' MET . 54.7 mt-10 -97.91 -61.72 1.35 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.921 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' SER . 54.3 mt -55.1 -61.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.79 -36.48 37.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.106 -0.637 . . . . 1.0 109.401 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -75.83 -12.44 60.17 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -84.66 -51.63 6.69 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.42 77.05 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.656 -0.868 . . . . 1.0 108.656 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.4 -20.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.814 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ASP . 71.1 tt0 -96.48 -32.25 12.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.901 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -60.16 -52.47 65.2 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.047 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 82' ' ' ILE . 8.1 p -56.02 -37.94 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.834 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.407 ' N ' HG13 ' A' ' 78' ' ' VAL . 89.8 t -80.71 -25.68 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' GLU . 34.9 t0 -83.36 -109.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.528 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -104.84 -55.12 2.38 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER 71.59 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 116.219 -0.446 . . . . 1.0 109.889 -179.013 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.54 -108.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 1.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.588 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.68 -51.86 7.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.589 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' LEU . 95.0 m-70 -79.75 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.655 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' A' ' 95' ' ' ASP . 28.6 mm-40 -55.19 90.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.262 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -142.69 -21.12 0.66 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.071 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -67.73 55.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 66.83 160.76 1.05 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.9 -23.68 41.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.168 0.508 . . . . 1.0 109.651 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . -63.49 -51.3 66.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.47 -34.93 74.74 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.937 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.416 ' OD2' ' OE1' ' A' ' 88' ' ' GLU . 13.5 t0 -44.74 -40.06 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.35 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.86 -44.74 61.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.202 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.616 ' O ' HG22 ' A' ' 101' ' ' VAL . . . -64.67 -35.21 91.65 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.479 -1.049 . . . . 1.0 110.479 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -48.72 -30.49 5.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.695 0.283 . . . . 1.0 111.191 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -49.76 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -57.18 -25.6 59.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.608 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 97' ' ' GLY . 19.2 m -70.25 -55.74 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.119 -0.633 . . . . 1.0 110.05 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 101' ' ' VAL . 4.1 mp -57.78 -49.78 75.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.963 -0.695 . . . . 1.0 109.615 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 107' ' ' VAL . 4.0 mp -73.89 -25.88 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.702 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -47.42 -43.34 23.7 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.263 -0.575 . . . . 1.0 109.723 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.16 -38.79 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 110' ' ' ILE . 76.1 mt -72.82 -64.88 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.46 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.908 HG23 ' H ' ' A' ' 108' ' ' ALA . 16.6 m -47.87 -67.15 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.506 -0.478 . . . . 1.0 110.737 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -34.45 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.004 0.431 . . . . 1.0 111.173 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 107' ' ' VAL . 95.7 t -93.23 -80.13 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.585 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.55 HD12 ' CG2' ' A' ' 106' ' ' ILE . 72.5 mt -46.26 -35.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.08 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 22.0 m -58.38 -52.69 64.56 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.611 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -67.51 -29.56 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.184 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.49 -59.1 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.324 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.28 -39.28 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.812 0.339 . . . . 1.0 110.233 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.49 -42.22 77.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.028 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.96 -45.3 78.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -56.42 -21.08 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.961 0.41 . . . . 1.0 110.119 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.65 -27.07 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.278 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.44 -47.02 85.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.853 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 120.913 0.387 . . . . 1.0 110.57 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 2.0 pp -56.82 -12.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.34 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.27 -64.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.596 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 30' ' ' ALA . 41.0 tt0 -100.5 -52.7 3.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -60.28 1.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.112 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' B' ' 26' ' ' ILE . . . -35.34 -38.14 0.09 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.892 0.377 . . . . 1.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 53.2 p90 -91.05 -39.63 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.811 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.77 78.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.028 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' B' ' 36' ' ' VAL . 44.5 tt0 -59.46 -61.11 2.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' O ' HG23 ' B' ' 38' ' ' VAL . 79.7 mt-10 -37.7 -33.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.693 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -78.41 -43.57 12.47 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' B' ' 33' ' ' GLN . 68.7 t -48.26 -47.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.8 54.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.821 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 34' ' ' GLU . 88.1 t -93.84 -32.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.38 -63.01 1.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 44' ' ' ILE . 6.2 tt -50.56 -38.06 42.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.289 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.246 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 38' ' ' VAL . 70.2 t -87.28 -47.74 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.621 -0.263 . . . . 1.0 111.308 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.59 -47.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 1.0 110.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.565 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -60.98 -45.63 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.155 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.565 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -54.39 -29.24 48.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.516 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 23.0 m -69.08 -42.24 76.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 109.991 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.51 -53.57 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -87.1 174.67 8.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.331 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -90.61 -150.78 0.23 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 20.1 m -152.84 173.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.28 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -170.57 -157.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.377 . . . . 1.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.37 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.97 26.93 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.075 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.403 ' O ' ' N ' ' B' ' 57' ' ' LEU . 33.5 p -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.277 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.87 14.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.557 -0.535 . . . . 1.0 109.557 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.42 HG23 ' H ' ' B' ' 56' ' ' VAL . 3.8 t -61.05 -29.08 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.657 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 54' ' ' THR . 46.3 tp -49.02 -39.43 27.01 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.559 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.46 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.001 -0.741 . . . . 1.0 109.001 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.431 HD13 HG12 ' A' ' 107' ' ' VAL . 96.6 mt -77.16 -57.56 5.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.337 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -46.03 -33.53 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.35 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 77.3 p -64.41 -62.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 1.0 109.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 65' ' ' VAL . 16.2 t -62.75 -27.36 42.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.752 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.1 ttp -57.37 -38.4 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.81 -34.78 60.22 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.053 -0.721 . . . . 1.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.542 HG12 ' O ' ' B' ' 62' ' ' VAL . 0.3 OUTLIER -53.7 -30.87 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.048 179.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.527 ' O ' ' N ' ' B' ' 69' ' ' GLU . 45.7 mtt -56.01 -50.02 72.04 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.228 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -24.3 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 119.869 -0.732 . . . . 1.0 109.578 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 4.1 t -88.93 -27.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.1 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' MET . 54.7 mt-10 -97.85 -61.93 1.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.856 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 73' ' ' SER . 53.5 mt -54.74 -61.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -36.42 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.165 -0.614 . . . . 1.0 109.462 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.89 -12.42 60.15 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.2 m -84.81 -51.51 6.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.53 76.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mm -57.32 -20.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.699 -1.137 . . . . 1.0 109.852 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 80' ' ' ASP . 71.3 tt0 -96.58 -32.2 12.37 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.81 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -60.15 -52.48 65.14 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.048 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' B' ' 82' ' ' ILE . 8.1 p -56.07 -37.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.909 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' B' ' 78' ' ' VAL . 89.8 t -80.83 -25.62 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.48 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' B' ' 76' ' ' GLU . 35.0 t0 -83.33 -109.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.528 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.83 -55.18 2.37 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.847 0.314 . . . . 1.0 111.847 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' B' ' 78' ' ' VAL . 0.2 OUTLIER 71.51 139.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.927 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.48 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 1.0 110.633 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -81.69 -51.81 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 95.0 m-70 -79.81 -62.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.652 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.417 ' OE1' ' OD2' ' B' ' 95' ' ' ASP . 28.7 mm-40 -55.22 90.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.534 ' O ' HD23 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -142.66 -21.2 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.095 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 78.9 p -67.69 55.36 0.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 1.0 111.265 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 66.74 160.78 1.03 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.85 -23.77 41.75 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . 0.409 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -63.38 -51.35 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.608 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.46 -34.96 74.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.848 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD2' ' OE1' ' B' ' 88' ' ' GLU . 13.5 t0 -44.61 -40.19 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.395 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.81 -44.74 61.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.573 -0.451 . . . . 1.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 101' ' ' VAL . . . -64.68 -35.17 91.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.529 -1.028 . . . . 1.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.76 -30.5 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 1.0 111.204 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 -49.68 5.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -57.17 -25.7 59.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.579 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 97' ' ' GLY . 19.2 m -70.16 -55.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.599 ' N ' HG23 ' B' ' 101' ' ' VAL . 4.1 mp -57.73 -49.81 75.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.995 -0.682 . . . . 1.0 109.664 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' B' ' 107' ' ' VAL . 4.0 mp -73.92 -25.75 20.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.787 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -47.45 -43.36 23.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.273 -0.571 . . . . 1.0 109.664 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.16 -38.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.552 ' CG2' HD12 ' B' ' 110' ' ' ILE . 75.3 mt -72.68 -65.0 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.531 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.915 HG23 ' H ' ' B' ' 108' ' ' ALA . 16.6 m -47.87 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.75 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.915 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -34.5 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.039 0.447 . . . . 1.0 111.234 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 107' ' ' VAL . 97.4 t -93.14 -80.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.669 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' B' ' 106' ' ' ILE . 72.4 mt -46.23 -35.82 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.039 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 22.1 m -58.38 -52.65 64.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.629 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.53 -29.66 69.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.149 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.43 -58.99 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.356 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.34 -39.22 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.828 0.347 . . . . 1.0 110.28 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.54 -42.23 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 1.0 109.985 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.9 -45.31 78.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -56.46 -21.1 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 1.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.68 -26.97 68.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.327 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.51 -47.01 85.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.855 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 120.871 0.367 . . . . 1.0 110.562 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.927 0.394 . . . . 1.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 2.0 pp -56.88 -12.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.382 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.18 -64.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' C' ' 30' ' ' ALA . 40.9 tt0 -100.44 -52.73 3.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.081 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 1.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.143 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' C' ' 26' ' ' ILE . . . -35.36 -38.22 0.1 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.93 0.395 . . . . 1.0 111.451 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 53.3 p90 -90.98 -39.65 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 15.7 tpt180 -61.11 -36.2 79.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.983 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' C' ' 36' ' ' VAL . 44.4 tt0 -59.17 -61.0 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.532 ' O ' HG23 ' C' ' 38' ' ' VAL . 79.6 mt-10 -37.75 -33.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.692 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -78.44 -43.62 12.31 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.176 -1.17 . . . . 1.0 110.176 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' C' ' 33' ' ' GLN . 58.9 t -48.24 -47.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.416 -0.514 . . . . 1.0 109.665 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -11.78 54.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.532 HG23 ' O ' ' C' ' 34' ' ' GLU . 85.9 t -93.76 -33.0 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.37 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.38 -62.86 1.37 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.458 ' O ' HG22 ' C' ' 44' ' ' ILE . 6.2 tt -50.66 -37.99 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.784 0.326 . . . . 1.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.95 67.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 38' ' ' VAL . 71.9 t -87.17 -47.71 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.591 0.234 . . . . 1.0 111.412 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.72 -47.75 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 1.0 110.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.562 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -61.02 -45.6 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.562 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -54.54 -29.06 49.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.567 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 22.7 m -69.1 -42.33 76.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.011 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.44 -53.48 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.483 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.587 HD12 ' N ' ' C' ' 48' ' ' LEU . 8.0 mp -87.19 174.6 8.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.328 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -90.56 -150.75 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -152.91 173.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.48 -157.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.08 151.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.88 27.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 33.8 p -60.78 -46.65 89.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -48.2 -36.89 14.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.41 ' H ' HG23 ' C' ' 56' ' ' VAL . 3.8 t -60.99 -29.15 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.617 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 tp -49.02 -39.31 26.51 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.562 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.9 OUTLIER -59.83 -37.38 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.974 -0.75 . . . . 1.0 108.974 179.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.413 HD13 HG12 ' B' ' 107' ' ' VAL . 96.5 mt -77.14 -57.61 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.386 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 13.9 t -46.12 -33.42 3.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.306 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 77.8 p -64.49 -62.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.522 . . . . 1.0 109.775 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.538 ' O ' HG12 ' C' ' 65' ' ' VAL . 16.3 t -62.69 -27.4 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.779 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 25.8 ttp -57.28 -38.49 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.77 -34.8 60.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.092 -0.707 . . . . 1.0 109.092 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.538 HG12 ' O ' ' C' ' 62' ' ' VAL . 0.3 OUTLIER -53.62 -30.93 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.987 179.255 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.519 ' O ' ' N ' ' C' ' 69' ' ' GLU . 45.5 mtt -56.09 -50.01 72.22 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.217 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -24.22 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.617 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' C' ' 66' ' ' MET . 4.1 t -89.02 -27.37 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.116 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' C' ' 66' ' ' MET . 54.7 mt-10 -97.95 -61.69 1.35 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.89 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' C' ' 73' ' ' SER . 54.8 mt -55.14 -61.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -36.5 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.084 -0.646 . . . . 1.0 109.432 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.78 -12.48 60.19 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.499 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.2 m -84.69 -51.65 6.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.793 -0.817 . . . . 1.0 108.793 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.4 77.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.45 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.622 -1.172 . . . . 1.0 109.777 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 80' ' ' ASP . 71.3 tt0 -96.6 -32.29 12.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.83 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -60.04 -52.53 64.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.073 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' C' ' 82' ' ' ILE . 8.0 p -56.02 -37.93 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.816 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' C' ' 78' ' ' VAL . 90.3 t -80.77 -25.59 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.488 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' C' ' 76' ' ' GLU . 35.1 t0 -83.37 -109.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.494 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.79 -55.11 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' C' ' 78' ' ' VAL . 0.2 OUTLIER 71.54 139.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.845 -179.011 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.52 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.38 105.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 1.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.2 90.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.81 -51.71 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' C' ' 89' ' ' LEU . 94.9 m-70 -79.88 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' OD2' ' C' ' 95' ' ' ASP . 28.5 mm-40 -55.24 90.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.3 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.531 ' O ' HD23 ' C' ' 89' ' ' LEU . 0.8 OUTLIER -142.61 -21.26 0.67 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.04 -179.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -67.69 55.4 0.06 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 66.75 160.78 1.04 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.87 -23.68 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 1.0 109.711 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . 0.41 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -63.37 -51.4 66.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.654 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.42 -34.98 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . 0.41 ' OD2' ' OE1' ' C' ' 88' ' ' GLU . 13.6 t0 -44.63 -40.13 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.407 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 44.4 mtt -72.77 -44.79 61.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.225 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.615 ' O ' HG22 ' C' ' 101' ' ' VAL . . . -64.7 -35.19 91.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.69 -30.5 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.279 . . . . 1.0 111.214 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.75 -49.74 5.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.743 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -57.13 -25.63 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.554 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.615 HG22 ' O ' ' C' ' 97' ' ' GLY . 19.2 m -70.25 -55.78 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.061 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.586 ' N ' HG23 ' C' ' 101' ' ' VAL . 4.1 mp -57.64 -49.85 75.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.636 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.486 ' CG2' HG13 ' C' ' 107' ' ' VAL . 4.0 mp -73.82 -26.03 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.722 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -47.38 -43.31 23.24 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.2 -0.6 . . . . 1.0 109.755 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.15 -38.82 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' C' ' 110' ' ' ILE . 76.0 mt -72.88 -64.86 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.342 -0.543 . . . . 1.0 111.456 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.877 HG23 ' H ' ' C' ' 108' ' ' ALA . 16.7 m -47.84 -67.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.786 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.877 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -34.52 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.947 0.403 . . . . 1.0 111.184 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' C' ' 107' ' ' VAL . 96.9 t -93.17 -80.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.649 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' C' ' 106' ' ' ILE . 72.5 mt -46.34 -35.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.031 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 21.8 m -58.37 -52.71 64.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.625 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.49 -29.6 69.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.51 -59.04 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.359 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 13.2 pt -60.26 -39.26 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.836 0.35 . . . . 1.0 110.318 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.47 -42.31 78.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 1.0 109.984 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.87 -45.33 78.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.539 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -56.35 -21.11 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 1.0 110.157 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.75 -26.98 67.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -62.49 -47.05 85.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.839 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.33 114.1 26.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.935 0.398 . . . . 1.0 110.537 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 118.014 -1.437 . . . . 1.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.353 . . . . 1.0 110.738 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.34 -13.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.98 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.613 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.28 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.629 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -78.91 2.92 18.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.478 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.91 -21.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.593 . . . . 1.0 111.598 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' ALA . 38.8 p90 -91.28 -41.69 10.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.214 0.531 . . . . 1.0 110.213 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 18.5 ttt85 -75.99 -22.28 56.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.401 -0.818 . . . . 1.0 109.498 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.2 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.47 -0.937 . . . . 1.0 108.47 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.09 -18.94 0.95 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.34 -0.846 . . . . 1.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.6 -58.79 1.79 Allowed Glycine 0 CA--C 1.531 1.086 0 C-N-CA 121.238 -0.506 . . . . 1.0 112.681 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.1 -33.38 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 117.172 0.486 . . . . 1.0 111.082 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -55.7 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 2.0 t -37.15 -19.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 37' ' ' ALA . 10.6 mt -89.49 -48.94 6.98 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 37' ' ' ALA . 39.0 mt -70.49 -40.37 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.47 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.432 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 4.7 p -96.87 -38.5 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 120.946 -0.302 . . . . 1.0 111.591 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 44' ' ' ILE . 9.3 p -60.72 -45.14 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.211 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 45' ' ' ALA . 17.1 tt -65.36 -47.03 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.188 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.15 -46.6 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.667 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.43 -172.12 2.83 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.356 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.18 0.43 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.3 m -151.58 167.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.331 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 52' ' ' ALA . 31.2 t0 -164.29 -137.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -52.3 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.564 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -154.51 20.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.799 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.92 -33.84 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.792 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -57.08 -40.72 77.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ILE . 67.0 t -47.69 -40.56 7.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.647 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 tp -49.24 -51.39 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.077 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.19 -43.25 70.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.254 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' MET . 12.9 mm -73.0 -55.31 13.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.208 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.9 m -49.36 -46.27 46.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.298 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -64.41 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.974 0.416 . . . . 1.0 110.467 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.5 -27.78 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.698 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' ILE . 31.5 ttm -60.37 -31.63 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.048 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -43.27 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.742 -0.836 . . . . 1.0 108.742 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.83 -31.44 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.196 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 70' ' ' ILE . 32.8 mtt -61.19 -34.85 75.74 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.688 -0.405 . . . . 1.0 109.978 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.13 -49.02 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 m -81.8 -21.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.381 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -92.56 -69.96 0.72 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 73' ' ' SER . 18.8 mt -57.1 -65.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.628 -0.429 . . . . 1.0 110.183 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.32 -40.57 11.98 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.679 -178.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 2.4 t30 -58.35 -4.8 0.42 Allowed 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 m -90.14 -46.27 8.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' B' ' 75' ' ' ILE . . . -61.84 -51.38 68.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.382 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' C' ' 74' ' ' ALA . 10.3 pt -66.78 -16.61 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 51.0 mm-40 -93.68 -28.66 15.84 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.582 -0.896 . . . . 1.0 108.582 177.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -64.15 -46.26 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.387 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.94 -45.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 79' ' ' VAL . 3.3 p -86.83 -26.11 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.691 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' GLU . 28.9 t70 -80.24 -98.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.519 0.563 . . . . 1.0 112.519 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 15.4 mmm180 -96.69 -16.25 21.02 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.058 0.392 . . . . 1.0 112.058 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt 34.95 96.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.009 0.433 . . . . 1.0 111.577 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -84.83 -39.04 8.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' GLY . 11.6 t 47.54 98.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 1.0 110.621 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.84 169.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.28 -15.05 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.46 -25.23 35.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.066 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.82 106.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.138 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.3 tp -174.43 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.5 p -70.75 32.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.284 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.9 170.57 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.7 -21.41 25.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.085 0.469 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.62 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.61 -30.77 70.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.599 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.32 4.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.722 0.296 . . . . 1.0 111.084 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 mtt -71.93 -45.95 59.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.001 0.429 . . . . 1.0 109.976 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . . . -63.52 -37.02 94.13 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.0 m -48.28 -30.94 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 1.0 110.654 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.26 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.493 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.744 HG23 ' H ' ' A' ' 102' ' ' LEU . 20.9 m -67.05 -60.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.246 -0.582 . . . . 1.0 109.49 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.744 ' H ' HG23 ' A' ' 101' ' ' VAL . 14.1 mt -53.57 -49.97 66.57 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.165 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.754 ' O ' HG22 ' A' ' 107' ' ' VAL . 16.9 mt -64.84 -24.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.278 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -41.27 -48.18 3.53 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.057 0.455 . . . . 1.0 110.601 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.7 mt -62.44 -38.9 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.089 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 103' ' ' ILE . 15.1 mt -74.05 -62.49 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.593 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -48.47 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.903 -178.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.2 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.864 0.364 . . . . 1.0 111.867 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.1 t -89.76 -77.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.084 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.73 -27.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 1.0 110.906 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 97.0 m -59.57 -47.71 84.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.19 58.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.67 -58.01 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.932 -0.307 . . . . 1.0 111.161 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 115' ' ' LEU . 3.3 tp -60.05 -43.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.701 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 114' ' ' ILE . 76.8 mt -60.81 -41.39 95.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.308 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 11.1 tp -62.44 -46.6 87.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.96 -28.0 67.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.679 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.5 m -65.16 -38.24 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.089 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 120' ' ' PHE . 1.8 p-80 -76.51 -43.81 37.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.471 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 36.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.643 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' B' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 1.0 110.77 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -57.24 -13.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.531 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.97 -61.74 2.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.574 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.25 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -78.9 2.91 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.8 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.516 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' ALA . 38.9 p90 -91.31 -41.74 10.76 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.15 0.5 . . . . 1.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' ALA . 18.4 ttt85 -75.98 -22.21 56.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.494 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.25 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.523 -0.917 . . . . 1.0 108.523 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.06 -18.91 0.91 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.31 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.66 -58.78 1.78 Allowed Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.241 -0.504 . . . . 1.0 112.698 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -50.05 -33.46 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 117.172 0.486 . . . . 1.0 111.042 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -55.58 -62.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.979 -0.749 . . . . 1.0 108.979 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' B' ' 42' ' ' VAL . 2.0 t -37.12 -19.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.382 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' B' ' 37' ' ' ALA . 10.6 mt -89.47 -49.0 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.811 -0.811 . . . . 1.0 108.811 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 37' ' ' ALA . 38.2 mt -70.42 -40.33 73.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.82 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.65 62.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.402 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' B' ' 38' ' ' VAL . 4.7 p -96.79 -38.56 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.949 -0.3 . . . . 1.0 111.619 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.523 HG13 ' N ' ' B' ' 44' ' ' ILE . 9.3 p -60.73 -45.1 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.158 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.56 HG23 ' N ' ' B' ' 45' ' ' ALA . 17.2 tt -65.52 -46.89 88.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.918 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.56 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -59.76 -28.96 67.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.208 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.29 -46.52 73.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.661 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -63.67 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.132 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -93.34 -172.14 2.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.433 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -155.16 0.43 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.66 167.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 52' ' ' ALA . 31.4 t0 -164.29 -137.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' B' ' 51' ' ' ASP . . . -52.39 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -154.46 21.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.841 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -40.06 -33.76 0.24 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.934 0.397 . . . . 1.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -57.05 -40.8 77.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.796 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 53' ' ' ILE . 67.3 t -47.65 -40.53 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.66 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.21 -51.42 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.18 -43.22 70.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.271 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 63' ' ' MET . 12.9 mm -72.99 -55.35 13.09 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.176 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -49.38 -46.31 47.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.248 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -64.28 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 1.0 110.539 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.53 -27.76 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' B' ' 59' ' ' ILE . 31.5 ttm -60.4 -31.56 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.992 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.82 -43.28 80.86 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.75 -31.55 52.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.198 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.0 mtt -61.04 -35.04 75.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.627 -0.429 . . . . 1.0 109.969 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.95 -49.04 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 m -81.78 -21.54 10.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.359 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.43 -70.14 0.71 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.982 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 73' ' ' SER . 18.6 mt -57.02 -65.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.211 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 73' ' ' SER . 0.1 OUTLIER -46.43 -40.5 12.33 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.71 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' B' ' 76' ' ' GLU . 2.3 t30 -58.41 -4.74 0.42 Allowed 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.5 m -90.23 -46.25 8.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.546 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.476 ' HB1' HG21 ' C' ' 75' ' ' ILE . . . -61.85 -51.31 68.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.331 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.479 HG21 ' HB1' ' A' ' 74' ' ' ALA . 10.3 pt -66.91 -16.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.224 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' B' ' 72' ' ' ASN . 51.3 mm-40 -93.64 -28.68 15.85 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 82' ' ' ILE . . . -64.21 -46.21 84.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.354 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.99 -45.1 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.636 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG12 ' B' ' 79' ' ' VAL . 3.3 p -86.87 -26.03 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.705 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 76' ' ' GLU . 29.0 t70 -80.35 -98.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.526 0.565 . . . . 1.0 112.526 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 82' ' ' ILE . 15.4 mmm180 -96.65 -16.17 21.11 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.098 0.407 . . . . 1.0 112.098 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' B' ' 77' ' ' ALA . 3.8 tt 34.83 96.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.085 0.469 . . . . 1.0 111.488 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -84.91 -38.94 8.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 83' ' ' GLY . 11.7 t 47.57 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 1.0 110.655 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.95 169.3 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 1.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.34 -15.04 47.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.658 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.43 -25.24 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.061 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.87 106.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.081 -0.34 . . . . 1.0 110.081 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.3 tp -174.61 -51.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 91' ' ' GLY . 20.6 p -70.94 32.2 0.04 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.219 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.84 170.51 0.04 OUTLIER Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.62 -21.38 25.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.144 0.497 . . . . 1.0 110.159 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -51.74 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.709 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.57 -30.8 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.566 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.34 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.741 0.305 . . . . 1.0 111.187 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.8 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 1.0 110.019 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.662 ' O ' HG13 ' B' ' 101' ' ' VAL . . . -63.67 -36.98 94.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -48.18 -30.94 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 1.0 110.687 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.29 -50.78 5.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.784 -0.451 . . . . 1.0 109.784 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.27 -25.45 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.47 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.733 HG23 ' H ' ' B' ' 102' ' ' LEU . 21.5 m -66.87 -60.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.549 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.733 ' H ' HG23 ' B' ' 101' ' ' VAL . 13.8 mt -53.71 -49.94 66.99 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.188 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' B' ' 107' ' ' VAL . 16.6 mt -64.82 -24.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.324 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -41.32 -48.3 3.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.113 0.482 . . . . 1.0 110.554 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 109' ' ' VAL . 83.9 mt -62.29 -38.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.091 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' B' ' 103' ' ' ILE . 14.8 mt -74.04 -62.54 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.576 -0.45 . . . . 1.0 111.569 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.775 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.4 OUTLIER -48.41 -75.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 120.706 -0.397 . . . . 1.0 110.857 -178.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.683 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.23 -33.05 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.845 0.355 . . . . 1.0 111.759 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.1 t -89.78 -77.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.019 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.63 -27.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.325 . . . . 1.0 110.928 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 96.8 m -59.62 -47.7 84.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.18 58.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.71 -58.03 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.489 HG23 ' N ' ' B' ' 115' ' ' LEU . 3.3 tp -59.95 -43.33 92.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.685 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.489 ' N ' HG23 ' B' ' 114' ' ' ILE . 75.8 mt -60.84 -41.38 95.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 1.0 110.315 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.437 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 11.0 tp -62.38 -46.56 88.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.233 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.0 -27.95 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 69.1 m -65.23 -38.25 89.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.075 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' B' ' 120' ' ' PHE . 1.8 p-80 -76.37 -43.95 38.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 1.0 110.523 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' B' ' 119' ' ' HIS . 36.3 t80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.695 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' C' ' 25' ' ' TRP . 7.0 m0 . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.829 0.347 . . . . 1.0 110.765 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.26 -13.83 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.59 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.99 -61.7 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.623 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.83 -27.26 2.11 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -79.0 2.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.437 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.9 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.516 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' C' ' 29' ' ' ALA . 38.7 p90 -91.19 -41.72 10.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.245 0.545 . . . . 1.0 110.238 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 29' ' ' ALA . 18.5 ttt85 -76.02 -22.16 56.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.507 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.23 -64.85 0.77 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.516 -0.92 . . . . 1.0 108.516 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.14 -18.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.32 -0.854 . . . . 1.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.71 -58.76 1.78 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 121.249 -0.5 . . . . 1.0 112.697 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.09 -33.41 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 117.142 0.471 . . . . 1.0 111.06 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -55.67 -62.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.981 -0.748 . . . . 1.0 108.981 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' C' ' 42' ' ' VAL . 2.0 t -37.2 -19.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.745 -0.661 . . . . 1.0 111.328 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' C' ' 37' ' ' ALA . 10.7 mt -89.53 -48.87 7.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' C' ' 37' ' ' ALA . 38.6 mt -70.52 -40.31 73.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.727 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.54 62.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.486 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' C' ' 38' ' ' VAL . 4.7 p -96.74 -38.6 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.643 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.517 HG13 ' N ' ' C' ' 44' ' ' ILE . 9.5 p -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.182 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.595 HG23 ' N ' ' C' ' 45' ' ' ALA . 17.1 tt -65.38 -47.07 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.919 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.595 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -59.66 -29.06 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 24.2 t -67.16 -46.66 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.713 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -63.67 -38.4 90.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.104 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.42 -172.15 2.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.372 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.22 0.43 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.704 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 32.4 m -151.61 167.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' C' ' 52' ' ' ALA . 31.2 t0 -164.28 -137.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.654 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.492 ' N ' ' OD1' ' C' ' 51' ' ' ASP . . . -52.26 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.1 OUTLIER -154.52 21.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.795 -179.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.94 -33.81 0.24 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.891 0.376 . . . . 1.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -57.12 -40.72 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.846 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' C' ' 53' ' ' ILE . 67.9 t -47.63 -40.61 7.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.683 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.19 -51.4 32.98 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.15 -43.28 70.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.21 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' C' ' 63' ' ' MET . 12.9 mm -72.96 -55.33 13.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.218 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 73.7 m -49.43 -46.31 47.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -64.31 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.439 . . . . 1.0 110.512 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -58.55 -27.7 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.672 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.429 ' N ' ' O ' ' C' ' 59' ' ' ILE . 31.5 ttm -60.52 -31.52 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.967 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.82 -43.21 80.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.675 -0.861 . . . . 1.0 108.675 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 t -67.82 -31.44 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.258 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' C' ' 70' ' ' ILE . 32.9 mtt -61.12 -34.88 75.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.027 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 mm -53.04 -49.11 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.413 ' H ' HG22 ' C' ' 68' ' ' VAL . 24.4 m -81.73 -21.61 10.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.31 -70.06 0.71 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.674 -0.411 . . . . 1.0 111.062 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' C' ' 73' ' ' SER . 18.5 mt -57.1 -65.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' C' ' 73' ' ' SER . 0.1 OUTLIER -46.36 -40.51 12.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.715 -178.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' C' ' 76' ' ' GLU . 2.3 t30 -58.52 -4.66 0.43 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.506 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.6 m -90.24 -46.28 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.536 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . 0.482 ' HB1' HG21 ' A' ' 75' ' ' ILE . . . -61.8 -51.26 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.432 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.476 HG21 ' HB1' ' B' ' 74' ' ' ALA . 10.3 pt -66.86 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.204 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' C' ' 72' ' ' ASN . 51.0 mm-40 -93.5 -28.77 15.89 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 108.662 -0.866 . . . . 1.0 108.662 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -64.11 -46.27 84.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.345 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.96 -45.12 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.78 -26.08 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.665 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' C' ' 76' ' ' GLU . 28.8 t70 -80.39 -98.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 15.4 mmm180 -96.66 -16.24 21.06 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 77' ' ' ALA . 3.8 tt 34.98 96.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.024 0.44 . . . . 1.0 111.542 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -84.81 -39.01 8.96 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 83' ' ' GLY . 11.9 t 47.45 98.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -60.84 169.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -84.33 -15.04 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -55.43 -25.29 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.981 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.89 106.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.073 -0.343 . . . . 1.0 110.073 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.3 tp -174.43 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' GLY . 20.4 p -70.84 32.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.257 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.85 170.53 0.04 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.664 -0.974 . . . . 1.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.65 -21.35 25.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.043 0.449 . . . . 1.0 110.146 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.59 60.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.708 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.68 -30.75 70.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.577 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 55.3 m-20 -43.62 -40.36 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.717 0.294 . . . . 1.0 111.126 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.84 59.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.0 109.995 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.671 ' O ' HG13 ' C' ' 101' ' ' VAL . . . -63.68 -36.97 94.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 49.4 m -48.29 -30.91 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.925 0.393 . . . . 1.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.22 -50.93 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.761 -0.459 . . . . 1.0 109.761 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.12 -25.43 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.548 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.726 HG23 ' H ' ' C' ' 102' ' ' LEU . 21.2 m -66.95 -60.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.515 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.726 ' H ' HG23 ' C' ' 101' ' ' VAL . 12.7 mt -53.86 -49.85 67.57 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.945 -0.702 . . . . 1.0 110.15 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.772 ' O ' HG22 ' C' ' 107' ' ' VAL . 16.8 mt -64.75 -24.34 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.282 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.37 -48.18 3.68 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.988 0.423 . . . . 1.0 110.521 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.463 ' O ' HG23 ' C' ' 109' ' ' VAL . 84.1 mt -62.36 -38.95 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 103' ' ' ILE . 15.2 mt -74.06 -62.4 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 120.461 -0.495 . . . . 1.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.772 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.4 OUTLIER -48.48 -75.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.865 -178.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.689 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.25 -33.0 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.866 0.365 . . . . 1.0 111.826 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.5 t -89.85 -77.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.69 -27.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.713 0.292 . . . . 1.0 110.884 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 97.0 m -59.56 -47.67 84.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -75.43 -26.13 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.73 -58.12 7.12 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.504 HG23 ' N ' ' C' ' 115' ' ' LEU . 3.4 tp -59.95 -43.32 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.615 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.504 ' N ' HG23 ' C' ' 114' ' ' ILE . 76.3 mt -60.88 -41.27 95.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 1.0 110.351 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.431 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 11.0 tp -62.42 -46.57 87.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.185 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -68.02 -27.87 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 69.3 m -65.28 -38.2 89.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.13 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' C' ' 120' ' ' PHE . 1.9 p-80 -76.52 -43.87 37.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.479 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' C' ' 119' ' ' HIS . 36.2 t80 -45.28 146.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.956 -1.469 . . . . 1.0 110.918 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 pt -60.62 -16.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.19 42.49 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.67 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.08 0.467 . . . . 1.0 110.763 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.168 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.509 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 32' ' ' ARG . 55.8 p90 -90.43 -45.38 9.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.019 0.437 . . . . 1.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.548 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 27.6 ttm-85 -63.69 -27.53 69.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.771 -0.649 . . . . 1.0 109.98 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 35' ' ' GLY . 27.4 mt-30 -59.61 -60.99 2.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.36 -26.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.0 111.25 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -94.68 -45.93 3.06 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.518 -0.633 . . . . 1.0 111.518 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -44.17 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 122.669 -0.313 . . . . 1.0 111.06 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -61.12 -70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 1.0 110.22 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.3 m -40.41 -19.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.019 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.72 -55.79 3.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.4 tp -59.77 -33.54 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.033 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.07 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.92 -1.036 . . . . 1.0 110.593 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' VAL . 46.1 t -91.26 -40.22 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.03 -48.8 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.657 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.08 -46.5 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.93 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.57 74.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.26 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -60.01 -51.76 68.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.52 -32.87 65.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.288 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.92 110.13 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 1.0 110.643 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.77 37.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.951 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' ALA . 27.9 p30 -106.21 157.71 17.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.911 0.386 . . . . 1.0 110.135 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -60.63 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.193 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.569 HG21 HG23 ' B' ' 53' ' ' ILE . 8.5 tt -176.69 -11.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.26 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' LEU . 20.9 m -43.32 -46.87 6.57 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.715 0.293 . . . . 1.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -39.72 19.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' ILE . 24.7 t -60.48 -29.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.622 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' THR . 39.4 tp -47.56 -43.84 25.63 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.14 -38.29 68.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 63' ' ' MET . 68.1 mt -77.76 -54.97 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.029 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 m -44.08 -39.9 4.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.68 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 p -64.0 -45.72 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.765 -0.828 . . . . 1.0 108.765 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ILE . 99.4 t -69.66 -26.99 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.05 -0.977 . . . . 1.0 110.412 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' ILE . 23.1 ttt -57.34 -38.56 74.31 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.7 -35.9 81.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.55 -41.09 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.284 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.2 mtt -54.25 -36.14 63.26 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.9 -24.7 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 120.069 -0.653 . . . . 1.0 109.284 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.16 -27.88 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.773 0.321 . . . . 1.0 111.236 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.79 -57.2 2.35 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.124 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' SER . 45.4 mm -59.54 -58.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 73' ' ' SER . 3.9 tt -46.09 -43.62 14.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.89 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.47 -9.82 0.35 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.382 0.611 . . . . 1.0 109.835 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -89.61 -49.11 6.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.624 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.21 70.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.949 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -63.94 -15.51 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.461 -0.79 . . . . 1.0 109.67 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' ASP . 58.5 tt0 -93.48 -29.3 15.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.71 -51.05 68.68 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.047 -0.978 . . . . 1.0 110.776 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 78' ' ' VAL . 5.6 m -54.89 -41.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.658 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 79' ' ' VAL . 7.6 m -84.69 -26.23 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.333 -0.547 . . . . 1.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 76' ' ' GLU . 7.5 m-20 -82.48 -106.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.879 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -104.69 -54.91 2.43 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.051 0.389 . . . . 1.0 112.051 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.51 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.03 -99.32 2.55 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.3 m 50.57 42.45 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 1.0 110.693 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -57.56 -73.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 54.8 t80 -85.38 -15.0 44.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.011 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 7.0 t60 -54.88 -62.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.005 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.48 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 87' ' ' HIS . 8.2 tp -172.03 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.9 m -71.51 19.32 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.98 169.29 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.475 -1.05 . . . . 1.0 110.475 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.01 -21.37 24.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.164 0.507 . . . . 1.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.7 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.649 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.56 -27.7 67.17 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.35 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.072 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.4 mtt -75.03 -47.08 30.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.88 -36.99 93.75 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 m -48.82 -33.82 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.77 0.319 . . . . 1.0 110.774 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.97 -52.95 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.23 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.307 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 97' ' ' GLY . 16.8 t -67.59 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.55 -47.24 66.88 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.16 0.505 . . . . 1.0 110.064 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 107' ' ' VAL . 13.2 mm -73.4 -21.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.48 4.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.397 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.9 tt -68.84 -40.01 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.855 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' ILE . 96.4 mt -71.89 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.848 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.618 HG12 ' N ' ' A' ' 108' ' ' ALA . 1.8 t -49.26 -72.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.828 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.618 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -33.73 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.831 0.348 . . . . 1.0 111.741 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.8 t -93.66 -75.35 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.957 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.6 mp -45.69 -42.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.603 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.48 -41.01 88.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.549 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 1.0 110.215 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.83 -57.82 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.828 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 115' ' ' LEU . 10.4 tp -63.11 -40.5 89.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.76 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.4 tp -56.81 -31.77 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -71.68 -40.28 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.976 179.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -59.62 -22.01 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.2 -32.51 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.7 t80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.395 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -60.64 -16.76 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.719 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.16 42.48 1.36 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.376 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' B' ' 30' ' ' ALA . 70.0 tt0 179.71 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.041 0.448 . . . . 1.0 110.72 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.2 5.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -38.43 -31.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.482 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' B' ' 32' ' ' ARG . 56.1 p90 -90.43 -45.44 8.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.976 0.417 . . . . 1.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.555 ' N ' ' CD2' ' B' ' 31' ' ' PHE . 27.5 ttm-85 -63.57 -27.68 69.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' B' ' 35' ' ' GLY . 27.4 mt-30 -59.46 -61.04 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.51 -26.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -94.75 -45.88 3.05 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.515 -0.634 . . . . 1.0 111.515 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.08 -44.13 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 122.752 -0.263 . . . . 1.0 111.029 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -61.23 -70.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 1.0 110.08 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.547 ' O ' HG23 ' B' ' 42' ' ' VAL . 18.3 m -40.51 -18.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.01 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.84 -55.74 3.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.4 tp -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.034 -0.984 . . . . 1.0 110.048 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.8 -23.05 64.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.588 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 38' ' ' VAL . 45.6 t -91.26 -40.18 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.04 -48.86 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.61 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.03 -46.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.877 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.6 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.99 -51.72 68.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.56 -32.9 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.244 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.248 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.97 110.14 3.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.73 37.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.992 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 52' ' ' ALA . 27.7 p30 -106.16 157.77 17.32 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.958 0.408 . . . . 1.0 110.099 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -60.7 -125.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.242 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.569 HG23 HG21 ' A' ' 53' ' ' ILE . 8.5 tt -176.67 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.651 -0.25 . . . . 1.0 111.287 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 57' ' ' LEU . 20.8 m -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.334 -0.099 0 O-C-N 122.192 -0.317 . . . . 1.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -39.74 18.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.949 0.404 . . . . 1.0 109.968 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 59' ' ' ILE . 24.5 t -60.48 -29.41 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.624 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 54' ' ' THR . 38.9 tp -47.46 -43.78 24.52 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 62' ' ' VAL . 18.9 mt -55.22 -38.33 68.29 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' B' ' 63' ' ' MET . 66.2 mt -77.74 -54.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.081 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.5 m -44.06 -39.94 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.629 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.6 p -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.668 -0.864 . . . . 1.0 108.668 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 59' ' ' ILE . 97.7 t -69.49 -27.04 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.463 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.467 ' N ' ' O ' ' B' ' 59' ' ' ILE . 23.4 ttt -57.41 -38.56 74.52 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.58 -35.96 81.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.53 -41.11 87.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.313 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.1 mtt -54.28 -36.17 63.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.472 -0.566 . . . . 1.0 109.472 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.86 -24.71 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.044 -0.662 . . . . 1.0 109.317 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.18 -27.84 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 120.747 0.308 . . . . 1.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -96.86 -57.05 2.38 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.139 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.8 mm -59.67 -58.79 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' B' ' 73' ' ' SER . 3.9 tt -46.15 -43.73 15.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.43 -0.508 . . . . 1.0 109.766 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.81 0.33 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.315 0.578 . . . . 1.0 109.95 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 3.6 t -89.66 -49.06 6.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.608 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.34 69.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.84 -15.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.729 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 58.1 tt0 -93.5 -29.26 15.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.665 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 m -54.85 -41.19 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.553 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 8.0 m -84.56 -26.27 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.517 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 7.5 m-20 -82.42 -106.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.097 -0.641 . . . . 1.0 110.89 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -104.63 -54.95 2.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.48 140.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.04 -99.3 2.55 Favored Glycine 0 N--CA 1.467 0.713 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 65.3 m 50.56 42.41 26.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 1.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.54 -73.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.113 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 54.7 t80 -85.31 -14.97 44.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 89' ' ' LEU . 7.0 t60 -54.82 -62.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.021 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -47.58 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.482 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 87' ' ' HIS . 8.2 tp -172.03 -51.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.3 m -71.48 19.37 0.06 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 111.025 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.0 169.26 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' B' ' 92' ' ' ARG . 29.7 ptt-85 -88.03 -21.28 24.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 1.0 109.892 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.64 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.673 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.7 -27.54 66.92 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -43.55 -40.89 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.069 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.11 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.581 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.93 -37.01 93.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.7 m -48.77 -33.9 11.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.721 0.296 . . . . 1.0 110.744 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.93 -52.94 4.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.7 -22.15 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.307 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 97' ' ' GLY . 16.9 t -67.62 -58.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.427 -0.582 . . . . 1.0 109.427 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.36 -47.29 66.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.187 0.518 . . . . 1.0 110.116 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.543 HG22 HG23 ' B' ' 107' ' ' VAL . 13.1 mm -73.38 -21.34 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.656 -0.417 . . . . 1.0 111.172 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.42 -45.42 4.36 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.51 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 109' ' ' VAL . 12.9 tt -68.79 -40.07 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 109.874 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 110' ' ' ILE . 96.4 mt -71.87 -63.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.73 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 108' ' ' ALA . 1.8 t -49.33 -72.76 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.233 -0.439 . . . . 1.0 109.91 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.6 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -33.86 -34.65 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 111.721 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.7 t -93.61 -75.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.042 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.519 HD12 ' N ' ' B' ' 110' ' ' ILE . 1.6 mp -45.71 -42.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.613 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.56 -41.02 89.19 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.33 -28.58 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.997 0.427 . . . . 1.0 110.25 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.88 -57.84 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.763 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.472 HG23 ' N ' ' B' ' 115' ' ' LEU . 10.4 tp -63.09 -40.41 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.806 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.472 ' N ' HG23 ' B' ' 114' ' ' ILE . 10.4 tp -56.91 -31.66 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 1.0 109.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.556 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -71.6 -40.34 69.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.953 179.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -59.76 -21.88 61.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.357 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . 0.402 ' OG ' ' OD2' ' C' ' 51' ' ' ASP . 7.1 m -70.27 -32.43 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -41.99 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.407 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.62 -16.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.76 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.23 42.5 1.36 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.363 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.61 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.734 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.26 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.219 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.527 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' C' ' 32' ' ' ARG . 55.7 p90 -90.45 -45.52 8.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.973 0.416 . . . . 1.0 110.821 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' C' ' 31' ' ' PHE . 27.4 ttm-85 -63.52 -27.71 69.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.96 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' C' ' 35' ' ' GLY . 27.5 mt-30 -59.52 -61.06 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.16 -0.682 . . . . 1.0 109.16 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -40.39 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.305 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.74 -46.01 3.02 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 111.399 -0.68 . . . . 1.0 111.399 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 32' ' ' ARG . 55.9 t -56.02 -44.14 77.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 O-C-N 122.688 -0.301 . . . . 1.0 111.042 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -61.13 -70.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 1.0 110.138 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.539 ' O ' HG23 ' C' ' 42' ' ' VAL . 18.0 m -40.41 -19.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.698 . . . . 1.0 110.999 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.79 -55.82 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.4 tp -59.59 -33.67 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.028 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -23.05 64.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.539 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' C' ' 38' ' ' VAL . 45.9 t -91.25 -40.13 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.964 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.94 -48.95 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 1.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.05 -46.49 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.908 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.57 74.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.99 -51.82 68.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -56.35 -32.96 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.292 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.9 128.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.274 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.89 110.11 3.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.72 37.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.984 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' C' ' 52' ' ' ALA . 27.8 p30 -106.14 157.75 17.32 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.902 0.382 . . . . 1.0 110.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -60.71 -125.48 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.169 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.566 HG23 HG21 ' B' ' 53' ' ' ILE . 8.5 tt -176.71 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.232 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 20.9 m -43.34 -46.89 6.63 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-O 120.727 0.299 . . . . 1.0 111.226 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -39.77 18.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.917 0.389 . . . . 1.0 109.977 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' C' ' 59' ' ' ILE . 24.4 t -60.5 -29.33 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.59 -43.79 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.86 -0.422 . . . . 1.0 109.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.13 -38.37 68.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' C' ' 63' ' ' MET . 67.9 mt -77.68 -55.07 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.637 -0.71 . . . . 1.0 110.035 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 18.1 m -43.97 -40.02 4.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.661 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 16.9 p -63.97 -45.63 88.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' C' ' 59' ' ' ILE . 98.5 t -69.67 -27.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.453 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.447 ' N ' ' O ' ' C' ' 59' ' ' ILE . 23.1 ttt -57.3 -38.73 74.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.46 -36.02 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.57 -40.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.323 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.482 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.1 mtt -54.37 -36.18 63.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 73.4 mt -59.78 -24.73 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.056 -0.658 . . . . 1.0 109.327 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.12 -27.89 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.709 0.29 . . . . 1.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -96.82 -57.09 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.172 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' C' ' 66' ' ' MET . 45.0 mm -59.59 -58.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' C' ' 73' ' ' SER . 3.9 tt -46.07 -43.84 14.96 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.4 -0.52 . . . . 1.0 109.771 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.79 0.33 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.356 0.598 . . . . 1.0 109.915 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.477 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.5 t -89.65 -49.12 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.34 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.991 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.86 -15.53 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.705 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' C' ' 80' ' ' ASP . 57.8 tt0 -93.48 -29.28 15.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.884 -1.154 . . . . 1.0 107.884 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.999 -1.001 . . . . 1.0 110.704 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . 0.405 HG22 ' H ' ' C' ' 78' ' ' VAL . 5.4 m -54.89 -41.1 55.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.606 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 m -84.65 -26.22 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.469 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' C' ' 76' ' ' GLU . 7.5 m-20 -82.44 -106.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.106 -0.638 . . . . 1.0 110.912 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -104.56 -54.99 2.42 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.093 0.405 . . . . 1.0 112.093 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.53 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.01 -99.3 2.54 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 64.1 m 50.63 42.41 26.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.771 0.319 . . . . 1.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.61 -73.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.082 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 55.0 t80 -85.41 -14.98 44.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' C' ' 89' ' ' LEU . 7.0 t60 -54.86 -62.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.001 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.52 89.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.937 -0.305 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' C' ' 87' ' ' HIS . 8.3 tp -172.07 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -71.46 19.36 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.934 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.94 169.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.53 -1.028 . . . . 1.0 110.53 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -88.01 -21.42 24.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 1.0 109.817 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.7 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.668 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -67.68 -27.63 67.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.41 -41.0 4.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.067 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.04 31.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.578 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.92 -36.94 93.68 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.6 m -48.91 -33.79 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.315 . . . . 1.0 110.725 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.98 4.33 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 1.0 109.788 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -22.11 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 97' ' ' GLY . 16.8 t -67.72 -58.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 -47.36 66.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.112 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' C' ' 107' ' ' VAL . 13.1 mm -73.28 -21.41 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.24 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.34 -45.43 4.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.595 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.439 ' O ' HG23 ' C' ' 109' ' ' VAL . 12.8 tt -68.77 -40.06 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.919 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' C' ' 110' ' ' ILE . 96.4 mt -71.96 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.61 HG12 ' N ' ' C' ' 108' ' ' ALA . 1.8 t -49.3 -72.84 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.61 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -33.83 -34.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.814 0.34 . . . . 1.0 111.745 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' C' ' 107' ' ' VAL . 43.7 t -93.57 -75.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.041 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 110' ' ' ILE . 1.6 mp -45.79 -41.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.562 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.55 -41.06 89.24 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.477 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.34 -28.53 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.257 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.94 -57.75 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.802 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.475 HG23 ' N ' ' C' ' 115' ' ' LEU . 10.4 tp -63.15 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.806 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.475 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.4 tp -56.9 -31.76 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.534 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -71.57 -40.34 70.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.019 179.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -59.72 -22.01 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.1 -32.46 70.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.48 -41.92 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -154.99 143.5 20.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.988 -1.451 . . . . 1.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.873 0.368 . . . . 1.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 101' ' ' VAL . 41.2 pt -83.43 -28.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -107.56 42.81 1.27 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.352 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' ALA . 64.9 tt0 -179.69 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.548 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -63.38 4.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.221 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -37.01 -38.89 0.2 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.86 0.362 . . . . 1.0 111.166 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -64.83 -51.67 60.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 1.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ALA . 72.5 mtt180 -58.67 -38.17 77.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.344 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -60.05 -8.86 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.445 . . . . 1.0 110.637 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 mm-40 -107.95 -45.28 4.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.867 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -53.76 20.65 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 108.829 -1.708 . . . . 1.0 108.829 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.2 t -56.82 -39.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.31 -7.03 0.49 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.755 0.312 . . . . 1.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' B' ' 64' ' ' LEU . 3.1 t -100.47 -16.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.571 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.655 0.264 . . . . 1.0 110.843 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.1 mp -58.9 -42.98 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.87 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.03 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.447 0.536 . . . . 1.0 112.447 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 38' ' ' VAL . 5.0 m -94.23 -38.15 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 112.089 0.403 . . . . 1.0 112.089 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' LEU . 54.1 t -59.8 -46.31 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.695 0.283 . . . . 1.0 110.84 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.1 -46.29 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 1.0 110.851 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.7 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.726 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.8 t -63.05 -56.49 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.146 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.92 -56.81 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.93 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' C' ' 119' ' ' HIS . 13.2 mt -86.27 -154.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.218 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.23 -161.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 51' ' ' ASP . 7.3 p -157.2 156.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.109 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.5 m-20 -158.24 -141.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -43.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.446 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.867 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.3 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.375 -179.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 p -43.92 -27.7 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 1.0 110.057 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.14 92.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.059 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' ILE . 24.7 t -48.25 -40.53 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -49.29 -47.95 46.48 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LEU . 7.6 mp -55.69 -41.12 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.673 ' N ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -76.87 -55.54 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.141 0.495 . . . . 1.0 109.808 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -48.25 -47.88 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.83 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 p -64.69 -64.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 1.0 111.447 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' LEU . 5.0 m -55.48 -24.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.411 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.8 tpp -55.55 -31.28 62.01 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.158 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' C' ' 38' ' ' VAL . 4.1 mm? -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' C' ' 38' ' ' VAL . 2.1 t -66.01 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 108.8 -0.815 . . . . 1.0 108.8 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.4 mtt -66.99 -35.12 79.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.118 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 45.0 mt -60.13 -34.63 57.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.61 -0.436 . . . . 1.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 3.4 p -90.69 -21.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.823 -0.548 . . . . 1.0 110.269 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.52 -60.91 1.66 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.619 0.247 . . . . 1.0 111.439 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' SER . 17.0 mt -65.32 -58.55 6.53 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.379 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -48.74 -42.82 36.51 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.44 -0.504 . . . . 1.0 109.784 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 29.4 m-20 -64.41 -8.05 12.02 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.436 0.636 . . . . 1.0 109.439 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -91.25 -51.3 5.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.923 179.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.64 64.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.764 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.08 -36.25 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 119.686 -0.806 . . . . 1.0 109.208 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 9.6 tm-20 -85.42 -29.36 24.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.942 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.526 ' HB2' ' NH1' ' C' ' 92' ' ' ARG . . . -58.84 -55.02 40.56 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.607 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.89 -30.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.38 -24.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.511 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' GLU . 41.2 t0 -83.17 -111.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.907 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 99.6 mtt180 -104.77 -47.46 4.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.888 0.375 . . . . 1.0 110.961 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.787 ' H ' HD12 ' A' ' 82' ' ' ILE . 2.0 mp -39.48 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.761 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.504 ' N ' HG22 ' A' ' 82' ' ' ILE . . . 123.82 40.81 0.44 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.6 p -141.26 80.95 1.76 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.96 0.41 . . . . 1.0 110.392 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -90.36 116.38 28.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.316 179.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -83.72 -26.3 29.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.57 ' CD2' ' H ' ' A' ' 88' ' ' GLU . 19.1 p-80 -84.23 -51.47 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.762 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.57 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 52.4 tt0 -42.37 137.42 2.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.644 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.81 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -86.53 46.83 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.197 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.36 166.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.287 -0.725 . . . . 1.0 111.287 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' B' ' 77' ' ' ALA . 0.1 OUTLIER -85.92 -21.47 27.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.67 73.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.306 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' GLY . 14.8 ttpp -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.515 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -42.04 -35.54 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.906 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.99 -39.03 94.66 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.93 -29.14 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.793 0.33 . . . . 1.0 110.908 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.3 -47.18 8.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.138 -0.69 . . . . 1.0 109.138 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.687 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.7 -19.95 19.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.17 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 97' ' ' GLY . 36.3 t -72.01 -57.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.563 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 102' ' ' LEU . 3.8 mm? -71.38 -29.23 64.7 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.067 0.461 . . . . 1.0 110.935 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -28.95 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.286 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -56.51 -41.3 76.46 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.656 0.243 . . . . 1.0 111.656 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.6 pt -61.04 -48.13 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.413 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.72 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.151 -0.62 . . . . 1.0 111.116 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 108' ' ' ALA . 3.0 t -81.14 -74.29 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.209 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -37.83 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.465 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 107' ' ' VAL . 27.1 t -94.88 -83.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.323 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -46.14 -32.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 111.627 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.01 -54.1 39.68 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.2 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.26 -24.58 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.38 -57.53 8.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.78 -46.02 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.936 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.0 mp -57.37 -38.69 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.84 -34.38 73.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.877 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -76.25 -25.08 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.121 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -69.88 -37.15 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 115' ' ' LEU . 4.7 m170 -66.46 -46.61 75.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.744 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.88 0.371 . . . . 1.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.612 HG21 HG22 ' A' ' 101' ' ' VAL . 41.3 pt -83.42 -28.57 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.369 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -107.57 42.69 1.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.357 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 30' ' ' ALA . 65.0 tt0 -179.62 -86.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' B' ' 32' ' ' ARG . . . -63.43 4.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.2 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -37.05 -38.81 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.826 0.346 . . . . 1.0 111.187 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -64.96 -51.65 60.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.073 0.463 . . . . 1.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 29' ' ' ALA . 72.4 mtt180 -58.62 -38.2 77.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.364 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.99 -8.84 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.03 0.443 . . . . 1.0 110.67 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.493 ' O ' HG23 ' B' ' 38' ' ' VAL . 27.8 mm-40 -107.97 -45.33 4.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 109.89 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.07 -53.79 20.71 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.792 -1.723 . . . . 1.0 108.792 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' B' ' 32' ' ' ARG . 48.1 t -56.7 -39.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.12 -7.07 0.45 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.83 0.347 . . . . 1.0 110.607 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 34' ' ' GLU . 3.1 t -100.48 -16.48 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.631 0.253 . . . . 1.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 ' N ' ' B' ' 40' ' ' LEU . 8.1 mp -58.92 -42.9 90.79 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.898 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.96 85.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.487 0.551 . . . . 1.0 112.487 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.453 HG22 ' O ' ' B' ' 38' ' ' VAL . 5.0 m -94.32 -38.24 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.096 0.406 . . . . 1.0 112.096 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 39' ' ' LEU . 55.0 t -59.75 -46.3 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.992 -0.283 . . . . 1.0 110.834 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.1 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.814 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.82 -39.64 69.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.78 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 32.5 t -63.03 -56.45 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.163 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.94 -56.77 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.953 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 119' ' ' HIS . 13.3 mt -86.3 -154.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.189 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -90.36 -161.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.455 HG22 ' N ' ' B' ' 51' ' ' ASP . 7.3 p -157.12 156.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.455 ' N ' HG22 ' B' ' 50' ' ' VAL . 18.3 m-20 -158.27 -141.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.774 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -42.92 166.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.489 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.878 ' N ' HD13 ' B' ' 53' ' ' ILE . 0.1 OUTLIER -140.33 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.347 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.0 p -43.98 -27.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 1.0 110.084 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.11 -40.15 92.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.047 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 53' ' ' ILE . 24.8 t -48.17 -40.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.424 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -49.51 -47.83 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.286 -0.566 . . . . 1.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.553 HD12 ' N ' ' B' ' 58' ' ' LEU . 7.6 mp -55.7 -41.1 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.077 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' B' ' 59' ' ' ILE . 1.5 mp -76.86 -55.59 10.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.09 0.471 . . . . 1.0 109.789 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.94 34.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.75 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 41.8 p -64.72 -64.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 58' ' ' LEU . 5.0 m -55.43 -24.33 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.436 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 36.2 tpp -55.49 -31.98 62.46 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.498 ' HB2' HG22 ' A' ' 38' ' ' VAL . 4.2 mm? -61.29 -41.55 97.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.68 -0.859 . . . . 1.0 108.68 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.466 HG23 HG11 ' A' ' 38' ' ' VAL . 2.1 t -65.99 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 108.862 -0.792 . . . . 1.0 108.862 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.5 mtt -66.86 -35.03 79.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.099 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' B' ' 71' ' ' LEU . 47.1 mt -60.3 -34.63 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.622 -0.431 . . . . 1.0 109.932 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 3.4 p -90.63 -21.27 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.733 -0.604 . . . . 1.0 110.307 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.57 -61.02 1.63 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.605 0.24 . . . . 1.0 111.456 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 73' ' ' SER . 17.1 mt -65.19 -58.56 6.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.944 -0.302 . . . . 1.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' B' ' 67' ' ' ILE . 0.8 OUTLIER -48.73 -42.8 36.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.861 -179.32 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 29.6 m-20 -64.36 -8.09 11.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.456 0.646 . . . . 1.0 109.483 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.549 ' N ' ' O ' ' B' ' 70' ' ' ILE . 0.7 OUTLIER -91.21 -51.35 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.874 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.63 64.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.758 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.09 -36.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.231 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 80' ' ' ASP . 9.6 tm-20 -85.37 -29.41 24.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.027 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.53 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . . . -58.76 -55.06 39.95 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.617 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 -30.31 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.013 -0.736 . . . . 1.0 109.013 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 83.6 t -82.41 -24.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.192 -0.913 . . . . 1.0 109.514 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' GLU . 41.2 t0 -83.21 -111.57 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.869 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 82' ' ' ILE . 99.6 mtt180 -104.78 -47.42 4.05 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.868 0.366 . . . . 1.0 110.986 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.808 ' H ' HD12 ' B' ' 82' ' ' ILE . 2.0 mp -39.51 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.728 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.514 ' N ' HG22 ' B' ' 82' ' ' ILE . . . 123.69 40.97 0.44 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 88.0 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.951 0.405 . . . . 1.0 110.363 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 0.8 OUTLIER -90.39 116.35 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.258 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.7 -26.27 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.385 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' B' ' 88' ' ' GLU . 19.0 p-80 -84.29 -51.36 7.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.788 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.566 ' H ' ' CD2' ' B' ' 87' ' ' HIS . 52.4 tt0 -42.5 137.46 2.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.633 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.79 -31.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.37 46.75 1.38 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.286 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 167.06 0.42 Allowed Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.533 ' NH1' ' HB2' ' C' ' 77' ' ' ALA . 0.1 OUTLIER -85.91 -21.45 27.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 1.0 109.703 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.68 73.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 97' ' ' GLY . 14.8 ttpp -66.71 -31.9 72.85 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.563 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -41.96 -35.54 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.888 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.98 -39.11 94.71 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -48.03 -29.03 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.937 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.41 -47.14 8.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.67 -20.0 19.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.17 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 97' ' ' GLY . 35.6 t -71.95 -57.91 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.673 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.572 HD22 ' N ' ' B' ' 102' ' ' LEU . 3.8 mm? -71.4 -29.2 64.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.092 0.473 . . . . 1.0 110.906 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.84 -29.03 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -56.45 -41.33 76.29 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.691 0.256 . . . . 1.0 111.691 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 4.6 pt -61.01 -48.25 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.14 -0.624 . . . . 1.0 110.371 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 pt -75.41 -30.69 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 120.226 -0.59 . . . . 1.0 111.209 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.55 HG12 ' N ' ' B' ' 108' ' ' ALA . 3.0 t -81.27 -74.25 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.231 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.55 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -37.88 -27.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.422 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 107' ' ' VAL . 27.8 t -94.92 -82.89 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.292 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mm -46.3 -32.44 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.555 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.03 -54.07 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.32 -24.55 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.37 -57.55 8.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.563 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.83 -45.99 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.857 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 10.0 mp -57.41 -38.65 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -59.86 -34.34 73.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.903 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.28 -25.06 54.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.134 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -69.98 -36.99 75.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' B' ' 115' ' ' LEU . 4.6 m170 -66.5 -46.5 76.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.703 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.973 0.416 . . . . 1.0 111.06 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.625 HG21 HG22 ' B' ' 101' ' ' VAL . 41.2 pt -83.5 -28.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -107.55 42.74 1.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' C' ' 30' ' ' ALA . 64.8 tt0 -179.68 -86.09 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.538 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' C' ' 32' ' ' ARG . . . -63.4 4.39 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -37.04 -38.87 0.21 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.891 0.377 . . . . 1.0 111.12 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -64.91 -51.74 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.12 0.486 . . . . 1.0 109.766 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' C' ' 29' ' ' ALA . 72.5 mtt180 -58.48 -38.42 77.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.329 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.87 -8.87 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 1.0 110.658 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.478 ' O ' HG23 ' C' ' 38' ' ' VAL . 27.7 mm-40 -107.97 -45.27 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.87 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.29 -53.49 21.37 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 108.798 -1.721 . . . . 1.0 108.798 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.86 -39.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.995 -0.372 . . . . 1.0 109.995 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.3 -7.12 0.51 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.823 0.344 . . . . 1.0 110.664 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.483 HG11 HG23 ' A' ' 65' ' ' VAL . 2.7 t -100.61 -16.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.377 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.486 ' N ' HD12 ' C' ' 39' ' ' LEU . 11.0 mp -87.98 -56.55 3.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 120.65 0.262 . . . . 1.0 110.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.55 ' N ' HD12 ' C' ' 40' ' ' LEU . 8.1 mp -58.99 -42.89 91.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.91 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.1 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.429 0.529 . . . . 1.0 112.429 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' C' ' 38' ' ' VAL . 4.9 m -94.21 -38.19 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 39' ' ' LEU . 55.1 t -59.81 -46.25 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.883 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 94.2 mt -61.1 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.863 -0.335 . . . . 1.0 110.833 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.83 -39.65 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.698 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 31.8 t -63.05 -56.45 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.124 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.98 -56.72 17.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.99 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' B' ' 119' ' ' HIS . 13.4 mt -86.34 -154.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.206 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.32 -161.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . 0.457 HG22 ' N ' ' C' ' 51' ' ' ASP . 7.2 p -157.09 156.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.018 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.457 ' N ' HG22 ' C' ' 50' ' ' VAL . 18.3 m-20 -158.16 -141.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.74 0.305 . . . . 1.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -43.09 166.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.871 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -140.37 24.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.398 -179.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 75.9 p -43.92 -27.72 0.38 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.145 0.497 . . . . 1.0 110.124 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.08 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.082 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' C' ' 53' ' ' ILE . 24.9 t -48.13 -40.51 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.442 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.39 -47.91 47.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.182 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.554 ' N ' HD12 ' C' ' 58' ' ' LEU . 7.6 mp -55.7 -41.0 73.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.087 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' C' ' 59' ' ' ILE . 1.5 mp -76.93 -55.59 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.199 0.523 . . . . 1.0 109.747 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.98 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.729 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 35.1 p -64.74 -64.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 1.0 111.39 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 58' ' ' LEU . 5.0 m -55.46 -24.36 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.423 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 36.5 tpp -55.48 -31.87 62.36 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' B' ' 38' ' ' VAL . 4.2 mm? -61.3 -41.6 97.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' B' ' 38' ' ' VAL . 2.1 t -66.02 -36.22 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.88 -0.785 . . . . 1.0 108.88 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.5 mtt -66.88 -34.93 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.12 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 46.8 mt -60.41 -34.53 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 C-N-CA 120.512 -0.475 . . . . 1.0 109.982 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 3.4 p -90.71 -21.17 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.75 -0.593 . . . . 1.0 110.281 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.68 -60.89 1.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.533 0.206 . . . . 1.0 111.404 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' C' ' 73' ' ' SER . 17.1 mt -65.41 -58.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' C' ' 67' ' ' ILE . 0.8 OUTLIER -48.83 -42.75 37.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.35 -0.54 . . . . 1.0 109.848 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 29.5 m-20 -64.29 -8.2 12.03 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.439 0.637 . . . . 1.0 109.43 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 70' ' ' ILE . 0.7 OUTLIER -91.18 -51.26 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.924 -1.035 . . . . 1.0 109.979 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.56 65.11 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.72 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.415 HG21 HD13 ' C' ' 75' ' ' ILE . 26.6 pt -50.2 -36.26 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.747 -0.781 . . . . 1.0 109.185 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' C' ' 80' ' ' ASP . 9.6 tm-20 -85.34 -29.37 24.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.533 ' HB2' ' NH1' ' B' ' 92' ' ' ARG . . . -58.88 -54.91 41.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.632 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 p -53.97 -30.3 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.993 -0.743 . . . . 1.0 108.993 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.35 -24.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.552 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' C' ' 76' ' ' GLU . 41.0 t0 -83.19 -111.52 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.901 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 99.6 mtt180 -104.85 -47.45 4.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.837 0.351 . . . . 1.0 110.886 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.804 HD12 ' H ' ' C' ' 82' ' ' ILE . 2.0 mp -39.51 161.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.71 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.493 ' N ' HG22 ' C' ' 82' ' ' ILE . . . 123.85 40.86 0.44 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.189 -1.164 . . . . 1.0 110.189 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.917 0.389 . . . . 1.0 110.341 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 0.8 OUTLIER -90.35 116.34 28.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.337 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -83.64 -26.37 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.405 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.567 ' CD2' ' H ' ' C' ' 88' ' ' GLU . 19.0 p-80 -84.27 -51.41 7.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.78 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.567 ' H ' ' CD2' ' C' ' 87' ' ' HIS . 52.6 tt0 -42.28 137.36 2.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tp -175.81 -31.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.52 46.83 1.39 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.271 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.4 166.98 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.263 -0.735 . . . . 1.0 111.263 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -85.87 -21.59 27.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.69 73.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -66.81 -31.84 72.74 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.541 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -42.04 -35.47 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 50.3 mtt -73.5 -45.65 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.887 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.89 -39.08 94.84 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.98 -29.09 3.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 1.0 110.948 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.39 -47.17 8.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.59 -20.09 19.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.145 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.887 HG23 ' O ' ' C' ' 97' ' ' GLY . 35.4 t -71.95 -57.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.642 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . 0.577 HD22 ' N ' ' C' ' 102' ' ' LEU . 3.8 mm? -71.37 -29.19 64.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.088 0.47 . . . . 1.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -29.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -56.53 -41.22 76.42 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.704 0.261 . . . . 1.0 111.704 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 4.6 pt -61.15 -48.07 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.352 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.66 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.218 -0.593 . . . . 1.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.541 HG12 ' N ' ' C' ' 108' ' ' ALA . 3.0 t -81.22 -74.3 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.217 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.541 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -37.88 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.45 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' C' ' 107' ' ' VAL . 27.9 t -94.92 -83.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.297 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.9 mm -46.22 -32.39 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.662 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.04 -54.03 40.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -55.28 -24.65 29.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.29 -57.58 8.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.91 -45.95 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 10.0 mp -57.4 -38.71 74.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.86 -34.29 72.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.918 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -76.33 -25.01 54.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.133 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 30.6 t -69.9 -37.13 75.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.5 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' C' ' 115' ' ' LEU . 4.6 m170 -66.34 -46.7 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.701 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -72.66 147.19 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.683 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.97 -1.461 . . . . 1.0 110.872 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.367 -0.234 . . . . 1.0 110.367 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -65.55 -21.69 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 1.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.54 42.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 29.8 tt0 -177.77 -90.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.16 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.91 4.48 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.548 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.46 -33.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.768 0.318 . . . . 1.0 111.189 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.4 -49.83 6.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.035 0.445 . . . . 1.0 110.781 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' NH2' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -63.26 -24.66 67.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.042 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 35' ' ' GLY . 8.3 tp-100 -59.49 -57.48 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.66 -25.64 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.605 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -91.57 -48.62 3.17 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.67 -34.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.802 -0.234 . . . . 1.0 111.02 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -63.31 -72.05 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.761 0.315 . . . . 1.0 110.335 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' VAL . 3.8 p -39.64 -17.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.263 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.9 tp -90.36 -47.07 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 37' ' ' ALA . 83.8 mt -69.02 -34.72 75.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.0 110.526 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -61.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' VAL . 34.3 m -47.76 -38.15 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.933 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 39' ' ' LEU . 16.4 t -55.27 -43.48 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.81 -47.6 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.172 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -39.17 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.362 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 48' ' ' LEU . 41.2 t -60.72 -48.47 81.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.76 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -49.37 -17.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.194 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' CYS . 0.8 OUTLIER 179.6 93.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.86 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.5 90.88 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.7 t -152.02 92.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.38 144.92 34.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.161 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.16 -76.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.597 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 56' ' ' VAL . 21.5 tt -173.2 -36.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 53' ' ' ILE . 60.8 m -34.58 -29.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.709 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.7 tmt_? -79.4 -48.24 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.412 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 53' ' ' ILE . 83.7 t -71.39 -37.68 65.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.172 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 tt -47.82 -49.79 28.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.6 mm? -47.1 -45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.566 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -49.53 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.45 -55.13 14.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.959 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 24.8 p -63.96 -58.29 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 1.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' LEU . 64.1 t -49.95 -29.05 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.578 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.549 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.55 -32.09 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.733 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 67' ' ' ILE . 33.0 mt -68.57 -47.71 66.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.063 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' VAL . 9.8 t -66.23 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.414 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.1 mtt -66.71 -33.21 75.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 64' ' ' LEU . 1.2 tp -47.66 -39.95 7.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.218 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -89.89 -20.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -92.15 -62.35 1.43 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.345 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' SER . 38.8 mt -64.67 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.297 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.15 -43.49 31.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.982 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -64.23 -10.34 22.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.234 0.54 . . . . 1.0 109.718 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t -89.43 -52.48 5.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.338 -0.846 . . . . 1.0 108.855 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.06 70.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.121 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.89 -38.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.276 -0.875 . . . . 1.0 108.948 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ASP . 30.2 mm-40 -85.55 -23.85 27.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.422 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -53.47 57.99 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.454 -0.499 . . . . 1.0 109.91 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.66 -32.01 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.087 -0.708 . . . . 1.0 109.087 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.76 -24.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.041 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 m-20 -79.56 -106.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.161 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 98.5 mtt180 -104.01 -57.62 2.01 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.949 -0.3 . . . . 1.0 110.767 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.826 HG23 ' H ' ' A' ' 83' ' ' GLY . 2.0 tp 161.54 -63.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 124.016 0.823 . . . . 1.0 109.668 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 82' ' ' ILE . . . 58.96 -143.03 45.93 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.66 -0.976 . . . . 1.0 110.66 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.1 p 47.18 -176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 1.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -50.32 115.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 63.0 t80 -83.78 -14.5 51.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.471 ' O ' ' O ' ' A' ' 88' ' ' GLU . 70.8 m-70 -55.29 -63.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.093 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 87' ' ' HIS . 34.1 tt0 46.87 104.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.735 0.302 . . . . 1.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 91' ' ' GLY . 2.0 pp -177.93 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.102 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 91' ' ' GLY . 17.8 m -72.45 28.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.304 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.28 169.28 0.03 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.83 -27.97 26.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 1.0 110.102 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.21 74.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.73 -29.14 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.689 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.07 -44.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.313 . . . . 1.0 111.185 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 35.0 mmm -72.46 -45.21 60.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.738 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.38 -39.49 95.86 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.563 -0.615 . . . . 1.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.75 -31.29 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.774 -0.251 . . . . 1.0 111.104 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.3 -48.45 8.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -65.08 -21.21 66.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.615 . . . . 1.0 111.494 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.2 t -64.1 -66.23 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.786 0.327 . . . . 1.0 110.286 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.1 mt -52.67 -45.6 66.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.704 0.764 . . . . 1.0 109.997 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 106' ' ' ILE . 21.0 mt -70.66 -24.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -38.1 -49.61 1.32 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.074 0.464 . . . . 1.0 110.83 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 82.2 mt -66.16 -38.6 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.851 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.8 mt -75.5 -61.94 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 120.492 -0.483 . . . . 1.0 111.613 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.95 HG13 ' H ' ' A' ' 108' ' ' ALA . 7.5 p -50.13 -75.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.359 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.95 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -35.35 -30.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.896 0.332 . . . . 1.0 111.896 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 107' ' ' VAL . 77.7 t -84.86 -76.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.33 -23.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.085 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 74.5 m -58.56 -52.89 63.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.966 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.5 ' CD2' ' O ' ' A' ' 108' ' ' ALA . 4.6 m0 -76.48 -26.95 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.489 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.75 -59.15 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.468 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.18 -42.16 93.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.473 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.83 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 7.8 tp -65.85 -38.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.24 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.77 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 1.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.04 -34.17 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.543 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.17 -17.92 63.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.833 -179.236 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.559 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 52.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.32 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 120.643 0.258 . . . . 1.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -65.36 -21.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.0 110.673 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.57 42.53 1.38 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' B' ' 32' ' ' ARG . 29.7 tt0 -177.72 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.059 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.77 4.43 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.587 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.68 -33.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.782 0.325 . . . . 1.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.42 -49.77 7.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.063 0.459 . . . . 1.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -63.39 -24.47 67.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.001 -179.349 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -41.75 -25.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -91.56 -48.56 3.19 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.69 -34.07 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.797 -0.237 . . . . 1.0 111.05 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -63.26 -72.03 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 1.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.584 ' O ' HG22 ' B' ' 42' ' ' VAL . 3.7 p -39.73 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.298 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.9 tp -90.39 -47.11 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' B' ' 37' ' ' ALA . 83.6 mt -68.95 -34.71 75.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.98 -1.009 . . . . 1.0 110.505 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.87 -61.48 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 38' ' ' VAL . 34.4 m -47.73 -38.07 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.983 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 39' ' ' LEU . 16.3 t -55.3 -43.48 71.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.92 -47.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.171 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.19 66.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' B' ' 48' ' ' LEU . 41.1 t -60.68 -48.42 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.808 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -49.44 -17.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.169 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 46' ' ' CYS . 0.8 OUTLIER 179.69 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.821 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.51 90.98 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.9 t -152.12 92.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.26 144.9 34.93 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.215 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -76.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.609 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 56' ' ' VAL . 21.4 tt -173.09 -36.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' B' ' 53' ' ' ILE . 61.0 m -34.59 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.696 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 53' ' ' ILE . 1.7 tmt_? -79.44 -48.33 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.4 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' B' ' 53' ' ' ILE . 84.4 t -71.35 -37.6 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.188 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.3 tt -47.91 -49.76 28.93 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.519 ' O ' HG23 ' B' ' 62' ' ' VAL . 2.6 mm? -46.98 -45.49 20.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.574 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.65 -49.59 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.357 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -49.51 -55.06 14.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.936 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 24.6 p -63.93 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 1.0 110.344 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 58' ' ' LEU . 65.5 t -49.92 -29.01 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 30.5 ttp -58.58 -32.08 68.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.467 -0.493 . . . . 1.0 109.729 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.426 ' O ' HG22 ' B' ' 67' ' ' ILE . 32.7 mt -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.019 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' B' ' 68' ' ' VAL . 10.3 t -66.18 -37.53 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' B' ' 70' ' ' ILE . 42.9 mtt -66.78 -33.19 75.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.426 HG22 ' O ' ' B' ' 64' ' ' LEU . 1.2 tp -47.65 -39.95 7.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.152 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 65' ' ' VAL . 4.5 p -89.89 -21.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 121.092 -0.243 . . . . 1.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.13 -62.4 1.42 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 121.142 -0.223 . . . . 1.0 111.374 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 38.3 mt -64.61 -59.23 4.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.298 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.23 -43.24 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.186 -0.606 . . . . 1.0 110.085 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -64.33 -10.33 23.58 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.264 0.554 . . . . 1.0 109.734 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.3 t -89.43 -52.45 5.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.304 -0.862 . . . . 1.0 108.875 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.12 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.127 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.88 -38.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 1.0 109.04 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.82 27.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.519 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.54 57.17 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.942 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.57 -32.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.128 -0.693 . . . . 1.0 109.128 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.81 -23.98 9.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.083 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.8 m-20 -79.54 -106.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.124 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.412 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 98.5 mtt180 -103.97 -57.68 2.0 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.793 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.784 HG23 ' H ' ' B' ' 83' ' ' GLY . 1.9 tp 161.57 -63.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.035 0.834 . . . . 1.0 109.665 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.784 ' H ' HG23 ' B' ' 82' ' ' ILE . . . 58.86 -142.88 45.8 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.411 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.7 p 47.02 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 1.0 110.917 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 62.9 t80 -83.76 -14.61 51.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' B' ' 88' ' ' GLU . 71.0 m-70 -55.29 -63.24 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.096 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 87' ' ' HIS . 34.1 tt0 46.89 104.34 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.681 0.277 . . . . 1.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 91' ' ' GLY . 2.0 pp -178.01 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.043 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.434 ' N ' HD12 ' B' ' 89' ' ' LEU . 17.6 m -72.47 28.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.314 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.2 169.32 0.03 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -84.8 -27.98 26.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.07 0.462 . . . . 1.0 110.065 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.22 -50.16 74.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.001 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.75 -29.18 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.658 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -39.96 -45.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 1.0 111.212 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 35.4 mmm -72.43 -45.26 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.501 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.35 -39.48 95.9 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.597 -0.601 . . . . 1.0 111.597 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.76 -31.31 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.714 0.293 . . . . 1.0 111.121 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.22 -48.47 8.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -65.09 -21.22 66.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.54 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.2 t -64.18 -66.22 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.56 -45.74 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.752 0.787 . . . . 1.0 109.984 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 106' ' ' ILE . 20.6 mt -70.62 -24.31 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -38.28 -49.45 1.39 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.968 0.413 . . . . 1.0 110.807 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 82.8 mt -66.24 -38.66 82.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.805 -0.634 . . . . 1.0 109.77 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.39 -62.07 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.548 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 108' ' ' ALA . 7.5 p -50.09 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.351 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.945 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -35.51 -30.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' B' ' 107' ' ' VAL . 77.9 t -84.96 -76.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.862 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.27 -23.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.06 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 75.3 m -58.56 -52.89 63.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.986 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . 0.501 ' CD2' ' O ' ' B' ' 108' ' ' ALA . 4.6 m0 -76.37 -27.06 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.54 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.77 -59.11 4.6 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.553 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.07 -42.32 94.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.453 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 6.6 tp -66.01 -38.5 88.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.254 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' B' ' 117' ' ' TRP . 36.6 m0 -61.9 -22.73 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 1.0 110.374 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -79.95 -34.2 38.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.97 63.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.87 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.558 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 52.8 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.261 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.342 -0.244 . . . . 1.0 110.342 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 pt -65.41 -21.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 1.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -108.53 42.58 1.37 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.522 ' O ' ' NH2' ' C' ' 32' ' ' ARG . 29.8 tt0 -177.7 -90.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.881 0.372 . . . . 1.0 111.122 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.83 4.56 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.633 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.72 -33.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.736 0.303 . . . . 1.0 111.151 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.35 -49.94 6.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.088 0.47 . . . . 1.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -63.3 -24.49 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.05 -179.272 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' C' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.55 12.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.5 -25.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -91.4 -48.64 3.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.59 -34.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 122.809 -0.23 . . . . 1.0 111.026 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -63.26 -72.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 1.0 110.33 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.585 ' O ' HG22 ' C' ' 42' ' ' VAL . 3.8 p -39.69 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.725 -0.671 . . . . 1.0 111.363 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.1 tp -90.5 -46.97 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' C' ' 37' ' ' ALA . 83.7 mt -68.95 -34.81 75.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.504 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.85 -61.37 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.528 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.585 HG22 ' O ' ' C' ' 38' ' ' VAL . 34.4 m -47.84 -38.11 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.92 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 39' ' ' LEU . 16.7 t -55.19 -43.57 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.76 -47.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 1.0 110.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.17 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.34 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' C' ' 48' ' ' LEU . 40.8 t -60.58 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.855 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -49.43 -17.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.178 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' C' ' 46' ' ' CYS . 0.8 OUTLIER 179.67 93.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.854 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.52 90.97 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -152.02 92.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.35 144.92 34.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.27 -76.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' C' ' 56' ' ' VAL . 21.4 tt -173.23 -36.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' C' ' 53' ' ' ILE . 60.3 m -34.68 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.814 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' C' ' 53' ' ' ILE . 1.6 tmt_? -79.47 -48.24 14.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.382 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' C' ' 53' ' ' ILE . 83.3 t -71.42 -37.72 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.133 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' C' ' 57' ' ' LEU . 1.3 tt -47.74 -49.82 27.12 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 2.6 mm? -47.06 -45.37 21.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.611 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.76 -49.51 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.368 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.5 -55.08 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 24.7 p -63.95 -58.32 7.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 64.3 t -49.91 -29.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.574 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.54 -32.09 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.423 ' O ' HG22 ' C' ' 67' ' ' ILE . 32.7 mt -68.6 -47.77 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.023 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.18 -37.62 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.431 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.435 ' O ' ' N ' ' C' ' 70' ' ' ILE . 43.1 mtt -66.69 -33.21 75.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.423 HG22 ' O ' ' C' ' 64' ' ' LEU . 1.2 tp -47.71 -39.94 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.131 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.401 ' H ' HG12 ' C' ' 68' ' ' VAL . 4.4 p -89.94 -20.98 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.11 -62.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 121.079 -0.248 . . . . 1.0 111.376 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' C' ' 73' ' ' SER . 39.0 mt -64.51 -59.3 4.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.257 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.22 -43.34 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.296 -0.562 . . . . 1.0 110.076 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.3 -10.35 23.48 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.222 0.534 . . . . 1.0 109.67 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.3 t -89.34 -52.6 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.378 -0.828 . . . . 1.0 108.854 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.06 71.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.113 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.79 -38.25 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.347 -0.842 . . . . 1.0 109.04 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' C' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.88 27.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.027 -0.269 . . . . 1.0 110.474 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.36 -53.45 58.17 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.46 -0.496 . . . . 1.0 109.899 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.6 -32.15 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.73 -24.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 m-20 -79.52 -106.44 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.13 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' C' ' 82' ' ' ILE . 98.4 mtt180 -103.98 -57.62 2.01 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.763 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.794 HG23 ' H ' ' C' ' 83' ' ' GLY . 2.0 tp 161.49 -63.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 124.03 0.831 . . . . 1.0 109.677 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . 0.794 ' H ' HG23 ' C' ' 82' ' ' ILE . . . 58.95 -143.01 45.92 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' C' ' 83' ' ' GLY . 23.6 p 47.16 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 1.0 110.935 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.53 1.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.034 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 62.9 t80 -83.75 -14.58 51.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' C' ' 88' ' ' GLU . 70.6 m-70 -55.29 -63.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.155 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 87' ' ' HIS . 34.1 tt0 46.85 104.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.695 0.283 . . . . 1.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 2.0 pp -177.9 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.08 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.433 ' O ' ' O ' ' C' ' 91' ' ' GLY . 17.1 m -72.44 28.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.332 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.32 169.29 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.75 -28.1 26.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.073 0.463 . . . . 1.0 110.142 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.14 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.654 . . . . 1.0 111.09 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -66.74 -29.2 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.67 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.09 -44.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 1.0 111.224 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 35.5 mmm -72.6 -45.22 60.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.27 -39.58 96.08 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.51 -0.636 . . . . 1.0 111.51 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.64 -31.48 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 1.0 111.07 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.19 -48.39 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -65.28 -21.03 66.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.496 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.3 t -64.17 -66.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.743 0.306 . . . . 1.0 110.255 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.6 -45.66 66.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.689 0.757 . . . . 1.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 106' ' ' ILE . 20.5 mt -70.57 -24.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -38.23 -49.42 1.37 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.97 0.414 . . . . 1.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 82.4 mt -66.35 -38.5 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.817 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' C' ' 103' ' ' ILE . 8.1 mt -75.52 -61.97 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.521 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.977 HG13 ' H ' ' C' ' 108' ' ' ALA . 7.5 p -50.22 -74.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.363 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.977 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -35.41 -30.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.905 0.335 . . . . 1.0 111.905 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' C' ' 107' ' ' VAL . 79.8 t -84.79 -77.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.892 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.21 -23.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.072 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 76.3 m -58.52 -52.93 63.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.027 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . 0.498 ' CD2' ' O ' ' C' ' 108' ' ' ALA . 4.6 m0 -76.49 -26.89 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.483 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.87 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.48 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.17 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.413 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.71 -30.94 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 6.7 tp -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.214 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' C' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.79 65.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 1.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 -34.27 38.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.535 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.561 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.91 63.93 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.831 -179.27 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.561 ' N ' ' ND1' ' C' ' 119' ' ' HIS . 52.8 t80 51.89 175.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.246 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.501 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.03 -1.428 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CD1' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.438 0 CA-C-O 120.973 0.416 . . . . 1.0 110.02 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -60.54 -16.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.372 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -106.66 43.37 1.16 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.37 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.463 179.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' H ' ' CG ' ' A' ' 28' ' ' GLU . . . -60.03 2.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.504 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -40.63 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -89.22 -45.91 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.21 0.528 . . . . 1.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.518 -0.764 . . . . 1.0 109.673 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 36.8 tp60 -59.93 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.508 -0.769 . . . . 1.0 109.96 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.0 -22.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.678 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -93.63 -55.35 1.55 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.868 -0.606 . . . . 1.0 112.216 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.59 -34.46 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 122.343 -0.504 . . . . 1.0 110.666 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -59.65 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.219 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -39.05 -18.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.27 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tt -87.87 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ALA . 4.0 mm? -66.21 -36.64 83.6 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.25 64.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.012 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -89.52 -37.53 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.81 -47.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.521 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -73.23 -47.23 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.478 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -60.52 -39.38 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.604 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.45 -51.41 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.194 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.76 -54.08 50.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.202 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.4 mp -82.84 -170.69 3.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.016 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.2 p-10 -71.53 -122.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.496 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 11.3 p -158.31 149.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.406 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.25 177.04 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 -139.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.726 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -97.73 -28.69 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.381 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.406 ' N ' HD13 ' A' ' 53' ' ' ILE . 36.5 p -38.0 -40.24 0.46 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.854 0.359 . . . . 1.0 111.134 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.06 -40.58 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.061 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ILE . 46.7 t -61.69 -37.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -48.0 -53.05 17.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 62' ' ' VAL . 11.1 tp -49.86 -52.12 35.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 63' ' ' MET . 14.5 mm -61.67 -25.75 37.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.202 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -76.22 -52.25 10.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.282 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m -64.13 -59.57 4.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.999 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 HD13 ' C' ' 103' ' ' ILE . 6.2 p -50.56 -35.54 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.705 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.2 mmt -58.52 -39.24 79.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.19 -37.98 84.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -68.41 -37.05 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.8 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.99 39.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.248 -0.433 . . . . 1.0 112.017 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.7 -23.9 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.083 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 66' ' ' MET . 86.8 t -90.84 -33.23 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 1.0 110.443 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' MET . 28.1 tp10 -94.76 -51.9 4.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.071 -178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 8.9 tt -67.55 -53.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 70' ' ' ILE . 2.2 tp -54.17 -35.59 62.45 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.124 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.404 ' O ' ' OE1' ' C' ' 88' ' ' GLU . 55.3 t30 -72.76 -12.67 61.1 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.235 0.541 . . . . 1.0 109.763 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -91.5 -52.16 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.411 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.66 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.5 pp -52.84 -40.0 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.699 -0.8 . . . . 1.0 109.587 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 80' ' ' ASP . 21.1 tt0 -82.39 -23.92 34.7 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.33 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.0 -51.58 69.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.8 t -52.88 -32.7 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.18 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.62 -24.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.111 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 63.0 m-20 -78.1 -102.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 60.5 ttt-85 -100.78 -10.0 21.2 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.8 tt 34.93 98.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.919 0.39 . . . . 1.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.77 -178.86 15.58 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 p 58.35 38.33 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 110.468 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.14 -71.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.655 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.477 ' O ' HD21 ' A' ' 89' ' ' LEU . 72.7 m-85 -51.51 -16.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.54 -10.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' B' ' 72' ' ' ASN . 87.7 mt-10 -125.15 87.63 2.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.695 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 86' ' ' TYR . 19.3 mt -101.7 -23.18 14.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.359 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -74.17 36.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.99 167.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.475 ' CD ' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -86.31 -22.49 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.55 -50.28 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.8 -29.27 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.12 -40.24 2.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.852 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 96' ' ' MET . 2.2 mpp? -70.56 -43.72 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -63.14 -36.54 93.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.14 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.717 0.294 . . . . 1.0 110.836 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.17 -50.28 4.89 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -55.34 -26.11 38.82 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.76 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 97' ' ' GLY . 25.1 t -69.39 -59.2 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.897 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.1 mt -50.42 -44.19 55.1 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.007 -0.677 . . . . 1.0 110.589 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 9.7 pt -78.55 -26.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 1.0 111.315 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . . . -36.79 -48.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.956 0.408 . . . . 1.0 110.852 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 80.2 mt -69.39 -38.51 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.985 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.9 mt -75.14 -61.44 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.505 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 108' ' ' ALA . 13.5 p -47.6 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 121.083 -0.247 . . . . 1.0 111.04 -178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.873 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -39.55 -26.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.84 0.291 . . . . 1.0 111.422 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' VAL . 99.4 t -92.84 -81.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.19 -37.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.289 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 14.4 m -59.15 -49.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.884 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.8 -31.22 69.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.135 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.73 -58.81 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.262 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 114' ' ' ILE . 1.2 mp -67.43 -39.89 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.4 tp -55.69 -31.03 62.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -67.67 -30.91 70.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.917 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -56.99 -20.65 25.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 120' ' ' PHE . 8.2 t -59.84 -29.98 68.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.287 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -63.35 -0.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.728 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 118' ' ' SER . 70.5 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . 0.427 ' CD1' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.997 0.427 . . . . 1.0 110.055 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.63 -16.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.7 43.42 1.16 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.379 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 0.4 OUTLIER 171.36 -93.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.527 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.421 ' H ' ' CG ' ' B' ' 28' ' ' GLU . . . -60.08 2.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.527 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -40.5 -29.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.891 0.377 . . . . 1.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -89.24 -45.91 9.18 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 110.167 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -65.84 -22.47 66.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.711 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.427 ' OE1' ' CD1' ' B' ' 25' ' ' TRP . 36.8 tp60 -59.99 -62.08 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.921 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.06 -22.43 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.349 -0.54 . . . . 1.0 110.606 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.453 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -93.59 -55.25 1.57 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.29 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.74 -34.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 122.368 -0.489 . . . . 1.0 110.543 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -59.6 -64.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.229 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.492 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -38.98 -18.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.272 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.2 tt -87.72 -54.44 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 178.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' ALA . 4.0 mm? -65.95 -36.8 84.34 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.445 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.22 65.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 38' ' ' VAL . 44.2 t -89.49 -37.57 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.84 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.7 -48.04 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.476 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.591 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -73.17 -47.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.495 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.591 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -60.53 -39.43 87.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.579 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 39.2 t -64.38 -51.45 63.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.259 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.71 -54.03 50.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.258 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 48' ' ' LEU . 10.4 mp -82.96 -170.65 3.13 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.3 p-10 -71.56 -122.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.464 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.428 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 11.3 p -158.27 149.2 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.374 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.29 177.07 7.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -97.8 -28.46 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.398 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.4 p -38.23 -40.18 0.49 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.819 0.342 . . . . 1.0 111.091 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.05 -40.51 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.11 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' B' ' 53' ' ' ILE . 46.6 t -61.77 -37.1 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.654 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 57' ' ' LEU . 0.4 OUTLIER -48.14 -53.01 18.19 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 62' ' ' VAL . 11.1 tp -49.85 -52.05 35.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.984 -0.746 . . . . 1.0 108.984 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' B' ' 63' ' ' MET . 14.6 mm -61.76 -25.7 37.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.17 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.26 -52.19 10.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.291 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 44.1 m -64.17 -59.62 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.963 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.519 HG21 HD13 ' A' ' 103' ' ' ILE . 6.2 p -50.49 -35.59 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.7 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' B' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.21 79.4 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.3 -37.84 84.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -37.1 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.801 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.513 ' O ' ' N ' ' B' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.96 39.88 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.274 -0.421 . . . . 1.0 112.035 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.72 -23.85 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 119.868 -0.733 . . . . 1.0 110.154 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 66' ' ' MET . 87.5 t -90.83 -33.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 1.0 110.38 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 66' ' ' MET . 28.1 tp10 -94.65 -51.81 4.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 112.17 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 8.9 tt -67.57 -53.29 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.432 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' B' ' 70' ' ' ILE . 2.2 tp -54.18 -35.63 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.142 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' A' ' 88' ' ' GLU . 55.2 t30 -72.73 -12.58 61.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.244 0.545 . . . . 1.0 109.752 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.469 ' O ' ' N ' ' B' ' 77' ' ' ALA . 0.3 OUTLIER -91.56 -52.2 4.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.362 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.66 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.324 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.5 pp -52.77 -40.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 119.782 -0.767 . . . . 1.0 109.643 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 21.2 tt0 -82.41 -23.92 34.64 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.03 -51.49 69.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.449 -0.575 . . . . 1.0 109.449 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.95 -32.62 18.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.278 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 41.4 t -85.67 -24.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 62.6 m-20 -78.04 -102.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.139 0.422 . . . . 1.0 112.139 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 82' ' ' ILE . 60.4 ttt-85 -100.71 -10.04 21.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.933 0.346 . . . . 1.0 111.933 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.94 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 121.017 0.437 . . . . 1.0 111.3 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.68 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 58.11 38.5 26.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 1.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.21 -71.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.476 ' O ' HD21 ' B' ' 89' ' ' LEU . 72.8 m-85 -51.4 -16.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -56.62 -10.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 72' ' ' ASN . 87.8 mt-10 -125.09 87.61 2.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.476 HD21 ' O ' ' B' ' 86' ' ' TYR . 19.1 mt -101.75 -23.13 14.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.364 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.19 36.94 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.97 167.74 0.08 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.681 -0.967 . . . . 1.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -86.3 -22.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.302 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.41 71.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.74 -29.26 69.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.2 -40.16 2.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.886 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' B' ' 96' ' ' MET . 2.2 mpp? -70.59 -43.72 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLY . . . . . 0.493 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -63.12 -36.53 93.58 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.1 8.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.615 0.245 . . . . 1.0 110.785 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.27 -50.29 4.85 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -55.37 -26.05 38.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.738 -178.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 97' ' ' GLY . 25.0 t -69.48 -59.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.45 -44.17 55.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.065 -0.654 . . . . 1.0 110.567 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 106' ' ' ILE . 9.8 pt -78.55 -26.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.253 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.69 -48.76 0.73 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.927 0.394 . . . . 1.0 110.859 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 109' ' ' VAL . 80.3 mt -69.41 -38.47 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.995 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.11 -61.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.446 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.866 HG13 ' H ' ' B' ' 108' ' ' ALA . 13.4 p -47.54 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 121.169 -0.212 . . . . 1.0 111.046 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.866 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -39.48 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.815 0.279 . . . . 1.0 111.476 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 107' ' ' VAL . 99.4 t -92.89 -81.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.912 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.16 -37.26 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.235 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 14.4 m -59.09 -49.86 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.815 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.026 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 74.5 m -65.74 -58.71 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.2 mp -67.42 -39.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.766 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.61 -31.05 61.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.56 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -67.7 -30.95 70.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.857 179.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.96 -20.63 24.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.106 0.479 . . . . 1.0 110.296 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' SER . . . . . 0.436 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.2 t -59.81 -30.02 68.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.279 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 116' ' ' LEU . 0.4 OUTLIER -63.23 -0.63 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.81 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' B' ' 118' ' ' SER . 70.7 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.584 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' OE1' ' C' ' 33' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.893 0.378 . . . . 1.0 110.01 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.54 -16.62 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.66 43.35 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.347 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' C' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.55 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' C' ' 28' ' ' GLU . . . -60.15 2.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.508 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -40.63 -28.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 1.0 111.179 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -89.25 -45.95 9.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.154 0.502 . . . . 1.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.88 -22.38 66.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.683 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' C' ' 25' ' ' TRP . 36.8 tp60 -60.03 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.949 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.03 -22.42 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.606 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.45 ' O ' HG12 ' C' ' 38' ' ' VAL . . . -93.61 -55.29 1.56 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.961 -0.563 . . . . 1.0 112.303 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.6 -34.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 117.144 0.472 . . . . 1.0 110.576 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -59.55 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.258 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.508 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -39.04 -18.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.277 -178.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.2 tt -87.86 -54.18 4.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' C' ' 37' ' ' ALA . 4.0 mm? -66.17 -36.7 83.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.486 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.17 -24.1 64.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.996 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.508 HG23 ' O ' ' C' ' 38' ' ' VAL . 43.9 t -89.59 -37.54 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.765 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 39' ' ' LEU . 45.3 t -56.84 -47.82 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.537 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -73.29 -47.16 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -60.43 -39.47 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.628 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.42 -51.41 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.83 -53.96 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.54 HD12 ' N ' ' C' ' 48' ' ' LEU . 10.4 mp -82.98 -170.7 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.972 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.3 p-10 -71.5 -122.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.505 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' VAL . . . . . 0.426 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 11.3 p -158.27 149.13 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.366 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 177.17 7.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.61 -139.49 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.0 OUTLIER -97.82 -28.63 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.321 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 36.6 p -37.98 -40.38 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 1.0 111.1 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -78.98 -40.58 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.088 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' C' ' 53' ' ' ILE . 46.9 t -61.79 -37.08 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.61 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.516 HD13 ' O ' ' C' ' 57' ' ' LEU . 0.4 OUTLIER -48.04 -53.02 17.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.466 ' O ' HG12 ' C' ' 62' ' ' VAL . 11.1 tp -49.92 -52.12 35.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' C' ' 63' ' ' MET . 14.5 mm -61.64 -25.66 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.301 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.3 -52.13 10.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 -59.62 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.956 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . 0.496 HG21 HD13 ' B' ' 103' ' ' ILE . 6.3 p -50.58 -35.54 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.676 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' C' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.16 79.25 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.979 -0.378 . . . . 1.0 109.979 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.38 -37.88 83.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.03 -0.73 . . . . 1.0 109.03 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.45 -37.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.76 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' MET . . . . . 0.517 ' O ' ' N ' ' C' ' 69' ' ' GLU . 7.3 mmt -66.45 -53.08 39.52 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.069 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 pt -44.62 -23.93 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 119.96 -0.696 . . . . 1.0 110.16 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' C' ' 66' ' ' MET . 87.4 t -90.79 -33.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 1.0 110.392 178.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' C' ' 66' ' ' MET . 28.2 tp10 -94.72 -51.83 4.54 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.165 -0.471 . . . . 1.0 112.102 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' C' ' 71' ' ' LEU . 8.8 tt -67.54 -53.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.559 -0.456 . . . . 1.0 110.427 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' C' ' 70' ' ' ILE . 2.2 tp -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.048 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' ASN . . . . . 0.412 ' O ' ' OE1' ' B' ' 88' ' ' GLU . 55.1 t30 -72.72 -12.57 61.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.201 0.524 . . . . 1.0 109.752 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' SER . . . . . 0.466 ' O ' ' N ' ' C' ' 77' ' ' ALA . 0.3 OUTLIER -91.53 -52.13 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.37 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.01 -51.68 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.286 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.6 pp -52.73 -40.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.738 -0.785 . . . . 1.0 109.658 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' C' ' 80' ' ' ASP . 21.2 tt0 -82.37 -23.95 34.72 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.333 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.02 -51.55 69.22 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -52.92 -32.6 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.82 -24.17 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.579 -0.737 . . . . 1.0 111.012 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.0 m-20 -78.16 -102.87 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' C' ' 82' ' ' ILE . 60.4 ttt-85 -100.74 -10.01 21.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.916 0.339 . . . . 1.0 111.916 -178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 35.01 97.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.95 0.405 . . . . 1.0 111.378 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.0 p 58.22 38.47 26.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 1.0 110.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.3 -71.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' TYR . . . . . 0.481 ' O ' HD21 ' C' ' 89' ' ' LEU . 72.9 m-85 -51.37 -16.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.539 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.65 -10.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 72' ' ' ASN . 87.9 mt-10 -125.08 87.62 2.74 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.858 0.361 . . . . 1.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . 0.481 HD21 ' O ' ' C' ' 86' ' ' TYR . 19.1 mt -101.75 -23.1 14.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.37 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.32 36.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 57.04 167.68 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.46 ' CD ' ' H ' ' C' ' 92' ' ' ARG . 0.0 OUTLIER -86.28 -22.51 26.77 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.43 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.399 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -66.81 -29.31 69.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -42.11 -40.22 2.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.854 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' C' ' 96' ' ' MET . 2.1 mpp? -70.59 -43.76 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.03 -36.6 93.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 43.7 t -48.44 -33.1 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.754 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.3 -50.19 4.89 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -55.43 -26.06 39.73 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 25.0 t -69.38 -59.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 32.3 mt -50.3 -44.26 53.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.569 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' C' ' 106' ' ' ILE . 9.8 pt -78.5 -26.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.301 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -36.75 -48.73 0.74 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.857 0.36 . . . . 1.0 110.873 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' ILE . . . . . 0.43 ' O ' HG23 ' C' ' 109' ' ' VAL . 80.3 mt -69.28 -38.56 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.992 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' C' ' 103' ' ' ILE . 7.9 mt -75.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.497 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.861 HG13 ' H ' ' C' ' 108' ' ' ALA . 13.4 p -47.62 -71.92 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.72 -0.218 . . . . 1.0 111.036 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' ALA . . . . . 0.861 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -39.56 -26.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.831 0.287 . . . . 1.0 111.492 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' C' ' 107' ' ' VAL . 99.5 t -92.92 -81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.94 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.09 -37.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.307 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 14.2 m -59.08 -49.85 76.31 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.892 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.71 -31.34 69.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.097 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.75 -58.76 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.248 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.2 mp -67.41 -39.98 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.741 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 36.2 tp -55.6 -31.12 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' LEU . . . . . 0.551 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -67.61 -31.01 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 1.0 109.921 179.386 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.85 -20.68 24.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.232 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' SER . . . . . 0.434 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.3 t -59.87 -29.95 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.279 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' C' ' 116' ' ' LEU . 0.4 OUTLIER -63.3 -0.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.8 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' C' ' 118' ' ' SER . 70.1 t80 -81.95 -93.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' GLY . . . . . 0.4 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -67.84 107.64 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.574 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.43 -4.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.534 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m 50.93 77.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.0 p -78.18 -31.67 49.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.52 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.25 13.31 0.02 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.11 -29.02 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 1.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 m -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.525 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 57.7 mtp85 -59.47 -38.73 81.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.41 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.0 mt -63.54 -46.98 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.306 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.5 mt -65.49 -49.09 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.137 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -65.96 -35.11 79.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.4 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' O ' ' CE1' ' A' ' 16' ' ' TYR . . . -61.33 -40.35 93.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.495 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.19 -14.38 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.633 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.86 -16.53 54.35 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' CE1' ' O ' ' A' ' 13' ' ' ALA . 34.2 m-85 41.65 40.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 1.0 110.712 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -53.11 -27.71 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -50.29 -37.56 36.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -59.87 -36.78 77.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.606 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.57 -35.54 81.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.3 mm? -73.11 -32.35 64.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.318 . . . . 1.0 110.378 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -65.41 -46.96 77.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.14 -33.86 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.34 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.693 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -47.27 -60.14 2.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.087 0.47 . . . . 1.0 110.201 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 27' ' ' ASN . 36.5 t-20 -107.79 43.31 1.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.915 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 18.2 tt0 164.59 -70.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.474 0.484 . . . . 1.0 110.229 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.0 2.51 14.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.426 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.64 -30.41 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.816 0.341 . . . . 1.0 111.44 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.49 -48.64 7.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 1.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.73 66.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.146 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 33' ' ' GLN . 1.5 tm0? -59.38 -59.5 5.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.529 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 61.8 tt0 -47.72 -22.14 0.48 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.07 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.74 -53.49 1.53 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.68 -0.568 . . . . 1.0 111.68 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.3 -45.17 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.605 0.24 . . . . 1.0 110.601 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.62 -60.1 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 42' ' ' VAL . 96.5 t -38.44 -19.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.3 tp -87.24 -52.77 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.45 -0.945 . . . . 1.0 108.45 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ALA . 13.9 mt -66.98 -36.13 81.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.156 -0.929 . . . . 1.0 110.819 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.2 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.418 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 38' ' ' VAL . 22.8 t -83.11 -38.01 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.905 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.0 t -51.84 -48.08 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.468 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG21 HD21 ' C' ' 115' ' ' LEU . 61.7 mt -74.49 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.53 -43.59 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 1.0 110.373 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.84 -48.69 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.74 -45.93 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.043 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 tp -173.36 132.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -157.61 108.42 2.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.399 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -154.91 51.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 114' ' ' ILE . 6.2 m-20 -84.29 -172.2 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' C' ' 53' ' ' ILE . . . -82.98 2.92 32.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' B' ' 52' ' ' ALA . 3.8 mt 69.51 -2.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 121.164 0.507 . . . . 1.0 110.41 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 m -43.69 -37.94 2.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' NH2' ' OG1' ' C' ' 111' ' ' THR . 37.6 ttt180 -48.12 -39.28 19.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 1.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.44 -43.77 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.661 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.0 tt -49.55 -55.71 12.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.496 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.34 -43.07 64.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' MET . 96.6 mt -67.66 -54.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.749 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.7 -43.9 47.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.089 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.4 m -64.06 -63.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 1.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.23 -28.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.457 ' O ' HG23 ' A' ' 67' ' ' ILE . 39.7 ttp -58.75 -30.19 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.02 -41.35 96.38 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.11 -39.06 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.264 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ILE . 34.7 mtt -54.32 -49.91 68.58 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.519 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -51.02 -22.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.11 -0.636 . . . . 1.0 109.678 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 5.7 t -91.32 -27.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.756 0.312 . . . . 1.0 110.601 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' O ' ' OG ' ' A' ' 73' ' ' SER . 56.7 mt-10 -97.28 -55.54 2.81 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.025 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' SER . 15.5 mt -63.97 -59.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.068 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.87 -36.81 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.903 -0.719 . . . . 1.0 109.608 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 9.8 m-20 -69.62 -10.92 60.18 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.4 m -90.56 -51.62 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.306 -0.861 . . . . 1.0 109.35 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.0 -51.43 68.08 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 76' ' ' GLU . 15.3 tt -49.74 -45.88 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.554 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 80' ' ' ASP . 65.8 tt0 -80.72 -22.86 39.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.973 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.14 -53.93 52.71 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 120.452 -0.499 . . . . 1.0 110.3 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.97 -32.63 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 1.0 109.433 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.82 -24.06 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.783 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 t0 -78.17 -103.55 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 85.1 mtt-85 -98.43 -10.51 23.55 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.6 tt 34.23 98.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.14 0.495 . . . . 1.0 111.569 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.09 56.83 0.5 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.731 -0.948 . . . . 1.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p -54.73 170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.0 110.674 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.5 161.44 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.17 -19.13 34.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.53 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.62 -26.06 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.062 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -44.6 121.99 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 1.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER 177.64 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 109.97 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.1 p -70.52 39.74 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.45 169.06 0.06 OUTLIER Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.599 -1.0 . . . . 1.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.0 25.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.235 0.54 . . . . 1.0 109.865 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.34 63.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.6 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.62 -27.56 67.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.733 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -44.73 -37.8 3.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -71.89 -45.67 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.968 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.05 -36.7 93.33 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.64 -32.6 8.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.775 0.322 . . . . 1.0 111.047 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.08 -46.63 10.29 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.88 -20.68 24.43 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.884 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 97' ' ' GLY . 20.2 t -66.7 -58.28 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.32 -49.99 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.452 -0.499 . . . . 1.0 111.18 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.71 ' O ' HG22 ' A' ' 107' ' ' VAL . 35.1 pt -79.13 -25.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -40.85 -44.54 2.3 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.007 0.432 . . . . 1.0 109.918 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 109' ' ' VAL . 67.6 mt -69.09 -38.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.536 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 17.7 mt -74.92 -63.76 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.945 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.951 -178.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.609 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.54 -32.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.952 0.406 . . . . 1.0 111.392 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.9 t -89.27 -75.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.6 mm -50.23 -33.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.525 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.468 ' OG1' ' NH2' ' B' ' 55' ' ' ARG . 3.5 t -58.95 -44.13 91.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.442 ' N ' ' CG2' ' A' ' 111' ' ' THR . 47.3 t90 -76.34 -29.11 57.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.31 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.32 -58.38 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.921 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 115' ' ' LEU . 2.3 pp -62.7 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.891 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 114' ' ' ILE . 14.6 tp -57.55 -37.29 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.597 -0.52 . . . . 1.0 109.597 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.56 -41.57 96.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.743 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.04 -20.4 16.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.154 0.502 . . . . 1.0 109.743 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 m -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.02 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -62.85 -37.62 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -160.33 141.58 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.53 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.006 -1.441 . . . . 1.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -67.77 107.55 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -62.32 -4.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.5 m 50.93 77.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 65.9 p -78.29 -31.57 48.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.2 13.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.18 -29.05 69.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -65.03 -40.34 94.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 57.8 mtp85 -59.63 -38.69 82.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.57 -46.96 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.43 -49.25 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.093 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -65.86 -35.11 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.387 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.521 ' O ' ' CE1' ' B' ' 16' ' ' TYR . . . -61.36 -40.36 94.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.21 -14.36 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.8 -16.49 54.55 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.23 -0.748 . . . . 1.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.521 ' CE1' ' O ' ' B' ' 13' ' ' ALA . 34.2 m-85 41.49 40.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.418 . . . . 1.0 110.755 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -53.12 -28.57 26.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.596 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -49.82 -37.46 30.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.673 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -59.84 -36.83 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.623 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.52 80.64 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.595 HD22 ' N ' ' B' ' 21' ' ' LEU . 3.3 mm? -73.14 -32.27 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 1.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -65.49 -46.92 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.627 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.85 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.587 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.47 -30.4 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -47.3 -60.12 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.456 . . . . 1.0 110.15 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.64 -13.83 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 27' ' ' ASN . 36.4 t-20 -107.83 43.33 1.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.923 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 18.1 tt0 164.52 -70.69 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.526 0.516 . . . . 1.0 110.298 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.05 2.65 14.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.389 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.75 -30.33 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.777 0.323 . . . . 1.0 111.448 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.51 -48.62 7.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.199 0.524 . . . . 1.0 110.793 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.79 66.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.094 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.443 ' C ' ' NE2' ' B' ' 33' ' ' GLN . 1.5 tm0? -59.32 -59.57 5.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.512 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' B' ' 38' ' ' VAL . 61.5 tt0 -47.72 -22.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.086 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.81 -53.44 1.53 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.671 -0.572 . . . . 1.0 111.671 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.33 -45.11 18.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.557 0.217 . . . . 1.0 110.634 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.62 -60.16 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 42' ' ' VAL . 95.8 t -38.35 -19.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.388 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.6 tp -87.28 -52.71 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 37' ' ' ALA . 13.9 mt -66.97 -36.15 81.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.49 -24.17 62.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.397 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 38' ' ' VAL . 22.6 t -83.17 -37.98 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.81 -48.16 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.399 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.434 HG21 HD21 ' A' ' 115' ' ' LEU . 61.8 mt -74.53 -46.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.765 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.73 55.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.336 . . . . 1.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 69.0 m -57.83 -48.68 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -48.63 -46.12 39.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.976 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 53.1 tp -173.25 132.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.258 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -157.39 108.4 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -154.96 51.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 114' ' ' ILE . 6.1 m-20 -84.41 -172.29 4.09 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' ILE . . . -82.86 2.9 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' C' ' 52' ' ' ALA . 3.8 mt 69.46 -2.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.203 0.525 . . . . 1.0 110.417 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.2 m -43.83 -37.87 3.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.468 ' NH2' ' OG1' ' A' ' 111' ' ' THR . 37.3 ttt180 -48.17 -39.18 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 1.0 110.608 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.47 -43.84 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.692 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.512 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.1 tt -49.56 -55.68 12.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.214 -0.594 . . . . 1.0 110.452 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.36 -43.05 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.934 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 63' ' ' MET . 96.6 mt -67.7 -54.9 19.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.735 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.9 p -49.8 -43.82 48.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.123 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 74.6 m -64.05 -63.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 1.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.26 -28.25 38.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.476 ' N ' ' O ' ' B' ' 59' ' ' ILE . 39.8 ttp -58.63 -30.25 67.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.11 -41.32 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.704 -0.851 . . . . 1.0 108.704 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -67.17 -38.97 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.261 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.481 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.7 mtt -54.33 -49.89 68.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.571 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.454 HG23 ' O ' ' B' ' 63' ' ' MET . 0.1 OUTLIER -51.06 -22.82 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.657 179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 5.6 t -91.27 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.592 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.427 ' O ' ' OG ' ' B' ' 73' ' ' SER . 56.6 mt-10 -97.16 -55.7 2.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.53 -0.304 . . . . 1.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 15.3 mt -63.88 -59.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.076 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.85 -36.78 49.56 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.633 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 9.9 m-20 -69.56 -10.97 60.37 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.4 m -90.57 -51.64 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.242 -0.89 . . . . 1.0 109.36 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.87 -51.57 67.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.821 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' B' ' 76' ' ' GLU . 15.2 tt -49.6 -45.99 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.512 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 80' ' ' ASP . 65.4 tt0 -80.64 -22.9 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.977 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.14 -53.99 51.98 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.189 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.92 -32.68 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.473 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -85.73 -24.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.834 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.9 t0 -78.21 -103.58 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.16 0.429 . . . . 1.0 112.16 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 82' ' ' ILE . 85.0 mtt-85 -98.4 -10.54 23.58 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 111.819 0.303 . . . . 1.0 111.819 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.6 tt 34.31 98.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 121.061 0.458 . . . . 1.0 111.601 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.11 56.82 0.5 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.58 170.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.321 . . . . 1.0 110.74 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -63.42 161.42 14.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.23 -19.0 34.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.507 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.75 -26.01 56.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.035 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.45 121.96 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.682 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER 177.6 -44.02 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.992 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.9 p -70.53 39.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 55.39 169.1 0.06 OUTLIER Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.588 -1.005 . . . . 1.0 110.588 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 ptt85 -87.33 -21.99 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.096 0.474 . . . . 1.0 109.773 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -51.46 63.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.647 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -66.52 -27.54 67.85 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.79 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.81 -37.76 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.885 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' B' ' 96' ' ' MET . 0.1 OUTLIER -71.98 -45.56 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.581 -0.448 . . . . 1.0 109.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.13 -36.73 93.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -48.56 -32.63 8.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.729 0.3 . . . . 1.0 111.031 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.17 -46.61 10.24 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.746 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.84 -20.68 24.13 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.934 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 97' ' ' GLY . 20.4 t -66.69 -58.32 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.31 -50.01 65.84 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.45 -0.5 . . . . 1.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.729 ' O ' HG22 ' B' ' 107' ' ' VAL . 35.2 pt -79.07 -25.92 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.326 0.491 . . . . 1.0 112.326 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -40.89 -44.56 2.33 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.467 ' O ' HG23 ' B' ' 109' ' ' VAL . 67.9 mt -69.07 -38.46 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.504 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' B' ' 103' ' ' ILE . 17.6 mt -74.92 -63.9 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.729 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.8 OUTLIER -48.71 -70.2 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.911 -178.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.618 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.44 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.946 0.403 . . . . 1.0 111.363 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.4 t -89.24 -75.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.771 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 mm -50.18 -33.82 10.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.574 -0.285 . . . . 1.0 111.56 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.468 ' OG1' ' CZ ' ' C' ' 55' ' ' ARG . 3.5 t -59.11 -44.0 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.475 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . 0.441 ' N ' ' CG2' ' B' ' 111' ' ' THR . 47.1 t90 -76.3 -29.14 57.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.312 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.31 -58.28 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.024 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.481 HD12 ' N ' ' B' ' 115' ' ' LEU . 2.3 pp -62.82 -42.58 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.933 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.481 ' N ' HD12 ' B' ' 114' ' ' ILE . 14.5 tp -57.67 -37.06 72.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.79 -41.45 95.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.78 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -56.13 -20.4 17.39 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 8.8 m -57.61 -29.32 64.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.027 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.84 -37.7 87.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.29 141.52 12.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 117.954 -1.47 . . . . 1.0 110.971 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -67.87 107.7 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -62.39 -4.28 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 17.8 m 50.93 77.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.4 p -78.13 -31.72 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . 0.429 ' H ' ' H ' ' C' ' 7' ' ' PHE . . . 172.24 13.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.429 ' H ' ' H ' ' C' ' 6' ' ' GLY . 87.3 m-85 -65.24 -28.9 69.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 1.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.19 -40.28 94.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 57.7 mtp85 -59.6 -38.73 82.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.383 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.48 -46.94 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.383 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.5 -49.14 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.157 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -65.9 -35.18 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.329 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -61.31 -40.35 93.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -14.37 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.676 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.93 -16.34 54.58 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 34.4 m-85 41.45 40.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 1.0 110.696 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 14.9 m -53.2 -27.69 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.713 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -50.28 -37.6 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.579 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -59.76 -36.85 77.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -35.42 80.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.071 -0.811 . . . . 1.0 111.071 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.582 HD22 ' N ' ' C' ' 21' ' ' LEU . 3.3 mm? -73.17 -32.33 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 1.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -65.47 -46.92 77.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -33.83 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -30.39 29.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -47.33 -60.08 2.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 1.0 110.152 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.66 -13.85 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' C' ' 27' ' ' ASN . 36.4 t-20 -107.75 43.27 1.22 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.847 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' C' ' 27' ' ' ASN . 18.4 tt0 164.56 -70.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.443 0.465 . . . . 1.0 110.248 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 2.6 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.458 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.79 -30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.811 0.338 . . . . 1.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -88.62 -48.62 7.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.471 . . . . 1.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.58 -22.74 66.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 1.0 110.12 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.452 ' C ' ' NE2' ' C' ' 33' ' ' GLN . 1.5 tm0? -59.45 -59.5 5.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.454 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 62.3 tt0 -47.76 -22.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.042 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.8 -53.43 1.53 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.719 -0.552 . . . . 1.0 111.719 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.4 -45.08 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.491 0.186 . . . . 1.0 110.588 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.6 -60.09 4.04 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.596 -0.52 . . . . 1.0 109.596 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.543 ' O ' HG23 ' C' ' 42' ' ' VAL . 95.2 t -38.51 -19.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.426 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.2 tp -87.23 -52.68 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.498 -0.927 . . . . 1.0 108.498 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' C' ' 37' ' ' ALA . 13.9 mt -67.06 -36.15 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.175 -0.92 . . . . 1.0 110.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.55 -24.11 62.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.421 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.543 HG23 ' O ' ' C' ' 38' ' ' VAL . 22.8 t -83.19 -38.05 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.903 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -51.68 -48.18 37.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.428 HG21 HD21 ' B' ' 115' ' ' LEU . 62.3 mt -74.52 -46.06 43.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.728 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.61 55.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.411 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 69.1 m -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -48.8 -45.94 41.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.039 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 52.8 tp -173.3 132.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.335 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -157.54 108.47 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.425 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.94 51.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.788 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 114' ' ' ILE . 6.1 m-20 -84.29 -172.27 4.07 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' B' ' 53' ' ' ILE . . . -82.88 2.87 32.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.58 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 3.8 mt 69.49 -2.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.501 . . . . 1.0 110.374 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 8.9 m -43.66 -37.99 2.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.468 ' CZ ' ' OG1' ' B' ' 111' ' ' THR . 37.2 ttt180 -48.12 -39.32 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.01 0.433 . . . . 1.0 110.583 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.29 -43.91 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 1.0 111.655 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.516 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.1 tt -49.62 -55.66 12.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.466 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.33 -43.04 64.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.987 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' C' ' 63' ' ' MET . 96.6 mt -67.76 -54.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.79 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 83.8 p -49.69 -43.91 47.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.156 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 74.3 m -64.05 -63.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.344 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.11 -28.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.627 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.444 ' N ' ' O ' ' C' ' 59' ' ' ILE . 39.8 ttp -58.68 -30.24 67.22 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.11 -41.34 96.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -67.11 -38.98 82.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.249 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.471 ' O ' ' N ' ' C' ' 70' ' ' ILE . 34.7 mtt -54.47 -49.83 69.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.511 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.439 HG23 ' O ' ' C' ' 63' ' ' MET . 0.1 OUTLIER -51.09 -22.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.073 -0.651 . . . . 1.0 109.689 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 5.6 t -91.3 -27.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.736 0.303 . . . . 1.0 110.639 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' C' ' 73' ' ' SER . 56.6 mt-10 -97.17 -55.63 2.79 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.029 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' C' ' 66' ' ' MET . 15.5 mt -63.96 -59.3 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.04 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.82 -36.76 49.14 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.845 -0.742 . . . . 1.0 109.645 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 9.8 m-20 -69.68 -10.88 60.02 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.471 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 m -90.49 -51.71 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.415 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -51.56 67.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.834 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.483 HG23 ' N ' ' C' ' 76' ' ' GLU . 15.2 tt -49.63 -46.0 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.512 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' C' ' 80' ' ' ASP . 65.9 tt0 -80.61 -22.89 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.17 -53.95 52.47 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.449 -0.5 . . . . 1.0 110.259 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.96 -32.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.5 t -85.71 -24.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.711 . . . . 1.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 t0 -78.1 -103.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' C' ' 82' ' ' ILE . 85.2 mtt-85 -98.47 -10.57 23.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.6 tt 34.43 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.086 0.47 . . . . 1.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.0 56.85 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -54.72 170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 1.0 110.644 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.41 161.4 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.672 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -84.21 -19.12 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.484 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -56.7 -26.05 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -44.56 122.04 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 1.0 110.645 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.8 OUTLIER 177.58 -43.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.033 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 22.2 p -70.49 39.64 0.05 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.46 169.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 110.593 -1.003 . . . . 1.0 110.593 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -87.3 -22.01 25.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.159 0.504 . . . . 1.0 109.792 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.43 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.688 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -66.49 -27.67 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.675 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.73 -37.83 4.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' C' ' 96' ' ' MET . 0.1 OUTLIER -71.9 -45.53 60.93 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.028 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.13 -36.78 93.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 50.0 m -48.49 -32.69 8.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 111.108 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.12 -46.59 10.3 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.144 -0.688 . . . . 1.0 109.144 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.754 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.95 -20.66 24.82 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.859 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.76 -58.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.46 -49.85 66.55 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.149 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.713 ' O ' HG22 ' C' ' 107' ' ' VAL . 35.4 pt -79.02 -25.93 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -40.96 -44.53 2.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.461 ' O ' HG23 ' C' ' 109' ' ' VAL . 67.9 mt -68.98 -38.56 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.893 -0.594 . . . . 1.0 109.521 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' C' ' 103' ' ' ILE . 17.8 mt -74.92 -63.81 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.864 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.713 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.8 OUTLIER -48.9 -70.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.944 -178.048 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.604 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.42 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.927 0.394 . . . . 1.0 111.326 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 44.0 t -89.26 -75.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.811 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 20.8 mm -50.34 -33.74 10.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.595 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.47 ' OG1' ' NH2' ' A' ' 55' ' ' ARG . 3.5 t -58.99 -44.13 91.58 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.464 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . 0.451 ' N ' ' CG2' ' C' ' 111' ' ' THR . 46.8 t90 -76.33 -29.12 57.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.29 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 13.2 t -65.34 -58.33 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.484 HD12 ' N ' ' C' ' 115' ' ' LEU . 2.3 pp -62.73 -42.68 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.86 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.484 ' N ' HD12 ' C' ' 114' ' ' ILE . 14.6 tp -57.68 -37.03 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.88 -41.39 95.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.738 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -56.19 -20.39 17.79 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 8.4 m -57.57 -29.36 64.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.012 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -62.71 -37.86 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.671 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -160.26 141.63 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.497 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 118.019 -1.434 . . . . 1.0 110.932 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 1.9 t-20 -73.49 6.0 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.63 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.2 132.49 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.28 -59.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -161.73 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.589 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.48 -42.43 13.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -75.22 -28.51 59.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 1.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 m -69.45 -36.56 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 73.8 ttt180 -59.18 -42.69 91.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.429 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.99 -49.11 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.97 -49.12 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.042 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.76 -36.8 84.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.44 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' O ' ' CD2' ' A' ' 16' ' ' TYR . . . -61.53 -34.14 75.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -80.33 -14.35 58.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -40.3 -34.16 0.6 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -75.58 19.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 1.0 110.451 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' ALA . 39.8 m -65.27 -31.19 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.646 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -54.17 -41.17 68.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -62.04 -37.15 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.04 -31.51 18.36 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.13 -31.21 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 1.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -65.44 -48.93 71.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.24 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -31.65 69.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.506 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.27 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.652 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.2 -61.99 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.456 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.4 mm-40 -126.83 -48.38 1.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.657 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -57.79 -2.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.794 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -39.15 -22.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.259 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 29.6 p90 -84.73 -42.75 14.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 1.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 68.1 ttt180 -62.42 -33.07 74.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.65 -64.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 1.0 109.234 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -44.54 -35.18 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.518 -179.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.55 -58.44 8.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.4 t -49.13 -35.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.502 -0.349 . . . . 1.0 110.108 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -7.26 15.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.749 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.3 t -96.59 -24.09 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.331 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.95 -62.56 1.44 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.752 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -49.62 -42.37 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.51 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HE ' ' A' ' 55' ' ' ARG . . . -61.88 -34.91 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.0 t -81.94 -41.56 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.31 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 72.3 t -50.18 -44.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 1.0 110.278 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 pt -74.04 -43.13 52.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.341 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.35 -46.48 72.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.666 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -62.86 -48.6 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 10.8 m0 -54.06 -35.22 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.14 103.15 0.37 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.18 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.28 102.0 11.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.944 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 m -150.87 23.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.4 102.08 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.54 -87.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.4 -23.3 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.042 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.9 -40.07 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HE ' ' HB1' ' A' ' 41' ' ' ALA . 62.2 ttt-85 -78.87 -47.9 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.408 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -52.93 -47.54 52.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.378 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -48.62 44.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.84 -0.429 . . . . 1.0 109.84 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 4.6 tp -49.73 -52.14 33.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.22 -34.59 67.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.0 110.434 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -57.2 -56.26 24.09 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.139 -0.689 . . . . 1.0 109.139 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.42 -52.48 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' LEU . 79.0 t -56.43 -48.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.046 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.11 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.564 -0.454 . . . . 1.0 109.969 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.78 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.298 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.08 -33.25 62.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.39 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.8 mt -49.64 -27.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.045 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -82.73 -43.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.813 0.339 . . . . 1.0 111.224 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ASN . 11.7 mm-40 -91.15 -74.69 0.49 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.4 mp -36.73 -55.89 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.507 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -49.15 -41.75 37.34 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.688 -0.805 . . . . 1.0 110.057 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 69' ' ' GLU . 12.4 m-20 -76.08 -10.89 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 1.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 6.5 p -89.8 -55.97 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.292 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.16 -52.66 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.573 -0.74 . . . . 1.0 109.758 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.657 HG23 HG22 ' C' ' 78' ' ' VAL . 1.2 mp -51.06 -49.09 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.77 -27.2 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.849 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.37 -51.17 70.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.667 -0.413 . . . . 1.0 109.973 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG22 HG23 ' B' ' 75' ' ' ILE . 2.1 t -53.33 -31.25 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.696 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.56 -24.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.062 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -82.6 -111.3 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.741 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 82' ' ' ILE . 93.7 mtt-85 -105.95 -36.71 6.89 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.882 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.3 tt 36.42 97.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.343 0.592 . . . . 1.0 111.298 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.36 -144.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 1.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.85 178.99 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 49.2 t80 -83.86 -16.04 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.763 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 1.3 m80 -79.51 -10.79 59.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 89' ' ' LEU . 19.3 tt0 -76.17 27.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 mp -106.99 -22.63 12.6 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.442 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 10.3 m -69.4 35.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.115 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.23 170.46 0.03 OUTLIER Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.619 -0.992 . . . . 1.0 110.619 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -88.77 -20.43 24.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.028 0.442 . . . . 1.0 109.846 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -51.14 63.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.667 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.12 -29.8 69.64 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.148 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.9 mtt -74.13 -45.15 50.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.464 -0.494 . . . . 1.0 109.837 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -61.43 -39.07 96.78 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.26 -1.136 . . . . 1.0 110.26 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.1 t -49.25 -27.61 3.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.0 110.571 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.16 -45.63 10.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.89 41.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.653 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLY . 63.5 t -70.76 -62.45 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.721 0.296 . . . . 1.0 111.714 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 102' ' ' LEU . 9.4 mp -51.85 -47.69 64.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.2 0.524 . . . . 1.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 106' ' ' ILE . 13.4 pt -73.09 -21.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.145 -0.622 . . . . 1.0 110.903 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -37.1 -49.6 0.88 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.91 0.386 . . . . 1.0 110.646 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 109' ' ' VAL . 16.2 tt -70.12 -38.87 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.086 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 103' ' ' ILE . 28.6 mt -68.52 -35.33 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.741 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 109' ' ' VAL . 61.3 t -65.24 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.963 -0.384 . . . . 1.0 109.963 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.49 -28.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.539 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 107' ' ' VAL . 48.5 t -92.63 -83.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.716 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.8 mm -45.18 -34.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.041 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -62.46 -41.17 98.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.45 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -68.81 -26.33 65.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.458 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 60.6 m -64.8 -58.85 5.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.875 -0.33 . . . . 1.0 111.421 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -67.21 -40.3 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.624 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.38 -42.6 78.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.543 -0.539 . . . . 1.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.67 -42.25 67.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.28 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -49.26 -24.91 2.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -26.71 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -68.09 -12.68 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.559 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 75.9 t80 -55.86 170.58 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.999 -1.445 . . . . 1.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 1.9 t-20 -73.58 6.07 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.521 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.27 132.47 50.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.511 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.3 -59.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -161.67 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.591 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.5 -42.39 13.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -75.19 -28.49 60.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 1.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -69.46 -36.62 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 73.7 ttt180 -59.17 -42.67 91.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 62.6 mt -64.02 -49.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.343 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.94 -49.07 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.157 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -65.75 -36.86 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.454 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' B' ' 16' ' ' TYR . . . -61.56 -34.03 74.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.561 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -80.37 -14.36 58.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 17' ' ' SER . . . -40.29 -34.22 0.6 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.741 -0.544 . . . . 1.0 111.741 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' O ' ' B' ' 13' ' ' ALA . 0.7 OUTLIER -75.52 19.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 1.0 110.446 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 14' ' ' ALA . 40.3 m -65.31 -31.18 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -54.24 -41.14 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -62.01 -37.11 83.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.08 -31.47 18.56 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 1.0 110.558 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -65.41 -49.0 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.23 67.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.537 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -31.67 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.627 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -62.72 1.28 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.523 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.22 -13.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.15 -62.04 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.438 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 14.3 mm-40 -126.82 -48.28 1.51 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -57.84 -2.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -39.18 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.319 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 29.8 p90 -84.65 -42.88 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.182 0.515 . . . . 1.0 110.061 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 69.0 ttt180 -62.4 -33.03 73.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.427 -0.806 . . . . 1.0 109.825 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -59.63 -64.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.202 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -44.57 -35.1 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.528 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.67 -58.34 8.59 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.8 t -49.14 -35.21 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.364 . . . . 1.0 110.124 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -7.23 15.85 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.698 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.47 ' O ' HG23 ' B' ' 42' ' ' VAL . 40.5 t -96.64 -24.06 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.412 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.88 -62.58 1.44 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.546 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -49.48 -42.49 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.512 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' HB1' ' HE ' ' B' ' 55' ' ' ARG . . . -61.89 -34.87 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 38' ' ' VAL . 88.9 t -81.99 -41.55 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.268 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' B' ' 47' ' ' TRP . 72.1 t -50.08 -44.45 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.389 . . . . 1.0 110.349 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.9 pt -74.14 -43.07 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.356 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.31 -46.53 72.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.87 -48.6 78.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.472 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.438 ' CD1' ' O ' ' B' ' 43' ' ' VAL . 10.7 m0 -54.14 -35.16 61.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.362 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.18 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.127 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.24 102.0 11.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.002 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.85 23.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.117 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.23 102.07 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.68 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.56 -87.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 1.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 pt -135.51 -23.17 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.055 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -40.0 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.446 ' HE ' ' HB1' ' B' ' 41' ' ' ALA . 62.1 ttt-85 -78.92 -47.87 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.397 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 t -52.86 -47.59 51.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.354 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.22 -48.59 45.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.42 ' O ' HG23 ' B' ' 62' ' ' VAL . 4.6 tp -49.75 -52.07 34.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 1.0 109.387 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.22 -34.63 67.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.975 0.417 . . . . 1.0 110.388 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -57.33 -56.06 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.214 -0.662 . . . . 1.0 109.214 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -64.33 -52.58 57.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.973 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 58' ' ' LEU . 79.2 t -56.45 -48.57 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.998 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -58.03 -47.88 81.75 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.555 -0.458 . . . . 1.0 109.977 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.79 -48.81 77.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.06 -33.31 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.685 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.17 -50.53 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 87.5 mt -49.61 -27.62 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.068 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -82.85 -43.83 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 72' ' ' ASN . 11.8 mm-40 -91.06 -74.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' B' ' 73' ' ' SER . 1.4 mp -36.68 -55.93 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.517 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -48.93 -42.06 35.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.738 -0.785 . . . . 1.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' B' ' 69' ' ' GLU . 12.1 m-20 -75.9 -10.95 59.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 1.0 110.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' B' ' 74' ' ' ALA . 6.6 p -89.71 -56.02 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.3 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.495 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.2 -52.62 64.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.762 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.655 HG23 HG22 ' A' ' 78' ' ' VAL . 1.2 mp -51.06 -48.98 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.726 -0.842 . . . . 1.0 108.726 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -69.91 -27.23 64.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.803 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.24 -51.23 70.65 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.057 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.652 HG22 HG23 ' C' ' 75' ' ' ILE . 2.1 t -53.36 -31.28 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.653 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 46.9 t -84.49 -24.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.143 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.51 -111.42 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' B' ' 82' ' ' ILE . 93.4 mtt-85 -105.9 -36.6 6.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.908 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.3 tt 36.47 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.307 0.575 . . . . 1.0 111.304 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.35 -144.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.13 100.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.764 0.316 . . . . 1.0 110.383 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.85 178.97 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.66 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 49.1 t80 -83.88 -15.99 46.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 1.4 m80 -79.49 -10.88 59.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.88 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.471 ' C ' HD12 ' B' ' 89' ' ' LEU . 19.2 tt0 -76.11 27.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 mp -106.99 -22.74 12.57 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.452 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 9.6 m -69.31 35.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 1.0 111.216 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.27 170.47 0.03 OUTLIER Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.61 -20.59 24.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.084 0.469 . . . . 1.0 109.957 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.17 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.635 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -67.29 -29.72 69.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.99 -38.64 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.143 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.21 -45.03 50.87 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.882 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -61.5 -39.09 96.85 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 30.8 t -49.3 -27.56 3.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.322 . . . . 1.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.04 -45.63 10.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -21.77 42.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.702 -0.681 . . . . 1.0 111.666 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 97' ' ' GLY . 62.4 t -70.74 -62.42 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.74 0.305 . . . . 1.0 111.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 102' ' ' LEU . 9.4 mp -51.88 -47.65 64.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.211 0.529 . . . . 1.0 111.066 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 106' ' ' ILE . 13.3 pt -73.16 -21.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.919 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.93 -49.71 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.025 0.441 . . . . 1.0 110.628 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 109' ' ' VAL . 16.1 tt -70.08 -38.88 76.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.106 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' B' ' 103' ' ' ILE . 28.7 mt -68.47 -35.45 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.728 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 109' ' ' VAL . 61.3 t -65.08 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.929 0.395 . . . . 1.0 110.018 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.52 -28.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.501 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' B' ' 107' ' ' VAL . 48.6 t -92.74 -83.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.656 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.13 -34.92 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.043 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 19.4 m -62.41 -41.2 98.5 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.461 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -68.8 -26.34 65.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 60.2 m -64.72 -58.94 4.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.461 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.62 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.39 -42.54 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.73 -42.28 67.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.29 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -49.11 -25.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.635 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -68.04 -12.65 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.658 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 75.9 t80 -55.95 170.69 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.507 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 118.018 -1.434 . . . . 1.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 1.9 t-20 -73.61 6.03 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -56.2 132.44 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -161.23 -59.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -161.59 -43.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.55 -42.39 13.93 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -75.24 -28.42 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 1.0 110.602 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.3 m -69.37 -36.62 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.525 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 73.5 ttt180 -59.23 -42.61 91.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.462 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.05 -49.1 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.302 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.89 -49.16 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.72 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.482 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' C' ' 16' ' ' TYR . . . -61.43 -34.15 74.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.601 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -80.34 -14.34 58.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' C' ' 17' ' ' SER . . . -40.35 -34.18 0.62 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.695 -0.562 . . . . 1.0 111.695 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' C' ' 13' ' ' ALA . 0.7 OUTLIER -75.52 19.58 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.351 . . . . 1.0 110.43 -179.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.468 ' N ' ' O ' ' C' ' 14' ' ' ALA . 40.9 m -65.17 -31.36 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -54.26 -41.17 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -61.93 -37.28 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.94 -31.42 17.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.25 -31.28 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 1.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -65.41 -48.95 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.498 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.3 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.51 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.63 69.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.506 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.21 -13.37 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.621 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.16 -61.93 2.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.442 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' C' ' 30' ' ' ALA . 14.4 mm-40 -126.92 -48.27 1.49 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -57.81 -2.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.769 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -39.08 -22.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.316 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 29.5 p90 -84.73 -42.83 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.18 0.514 . . . . 1.0 109.994 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.617 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 68.9 ttt180 -62.48 -33.02 74.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.7 -64.26 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.3 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.2 OUTLIER -44.58 -35.11 2.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.564 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.59 -58.42 8.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.1 -35.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.458 -0.371 . . . . 1.0 110.17 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -7.35 15.92 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.463 ' O ' HG23 ' C' ' 42' ' ' VAL . 40.5 t -96.57 -24.13 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.34 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.87 -62.66 1.42 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.705 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.539 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.9 OUTLIER -49.53 -42.41 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.524 -179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . 0.45 ' HB1' ' HE ' ' C' ' 55' ' ' ARG . . . -61.93 -34.84 76.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 38' ' ' VAL . 89.9 t -82.01 -41.58 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.272 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' C' ' 47' ' ' TRP . 71.4 t -50.06 -44.52 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 1.0 110.366 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 pt -73.98 -43.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.383 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.49 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.8 -48.68 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.494 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . 0.445 ' CD1' ' O ' ' C' ' 43' ' ' VAL . 10.8 m0 -53.98 -35.33 61.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.339 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.17 103.09 0.37 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.119 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -83.33 102.04 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.949 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.92 23.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.059 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.34 102.09 3.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.48 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 pt -135.47 -23.27 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.084 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.89 -40.14 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' HB1' ' C' ' 41' ' ' ALA . 61.9 ttt-85 -78.89 -47.82 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.416 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 t -52.87 -47.68 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.09 -48.68 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 62' ' ' VAL . 4.6 tp -49.72 -52.01 34.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -68.28 -34.66 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-O 120.906 0.384 . . . . 1.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.1 m -57.12 -56.24 24.31 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.203 -0.665 . . . . 1.0 109.203 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 36.2 t -64.52 -52.42 57.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 58' ' ' LEU . 78.9 t -56.55 -48.59 80.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.003 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 11.4 tpt -57.99 -47.82 81.85 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.011 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.77 -48.77 77.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.17 -33.17 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mtt -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -49.59 -27.58 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.056 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.85 -43.85 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 1.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' C' ' 72' ' ' ASN . 11.8 mm-40 -90.99 -74.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.035 -0.357 . . . . 1.0 110.035 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' C' ' 73' ' ' SER . 1.4 mp -36.69 -55.94 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.692 -0.686 . . . . 1.0 110.469 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 tp -49.12 -41.83 37.25 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.664 -0.814 . . . . 1.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 69' ' ' GLU . 12.4 m-20 -75.91 -10.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' C' ' 74' ' ' ALA . 7.0 p -89.77 -55.96 3.43 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.356 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . 0.498 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.17 -52.68 64.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.613 -0.722 . . . . 1.0 109.718 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.652 HG23 HG22 ' B' ' 78' ' ' VAL . 1.2 mp -50.97 -49.19 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.81 -27.14 64.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.805 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.4 -51.24 70.64 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.657 HG22 HG23 ' A' ' 75' ' ' ILE . 2.1 t -53.33 -31.23 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-N 115.526 -0.761 . . . . 1.0 109.678 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.57 -24.22 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.111 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -82.49 -111.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.708 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 82' ' ' ILE . 93.3 mtt-85 -105.84 -36.76 6.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.936 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.3 tt 36.48 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.304 0.573 . . . . 1.0 111.354 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.3 -144.89 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t 170.11 100.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 1.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.86 179.0 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 49.3 t80 -83.83 -16.03 46.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 1.3 m80 -79.56 -10.8 59.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.466 ' C ' HD12 ' C' ' 89' ' ' LEU . 19.2 tt0 -76.18 27.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.945 0.402 . . . . 1.0 110.446 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 mp -107.02 -22.63 12.59 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.48 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 91' ' ' GLY . 10.4 m -69.34 35.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.28 170.44 0.03 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -88.75 -20.46 24.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.025 0.441 . . . . 1.0 109.874 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.07 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.641 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -67.26 -29.73 69.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.794 -0.362 . . . . 1.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -43.03 -38.64 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.164 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 30.2 mtt -74.13 -45.08 51.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.446 -0.502 . . . . 1.0 109.882 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.415 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -61.57 -38.98 96.72 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.211 -1.156 . . . . 1.0 110.211 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -49.26 -27.63 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 1.0 110.625 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.0 -45.69 10.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.67 -21.76 42.01 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.608 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 97' ' ' GLY . 62.8 t -70.76 -62.48 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.698 0.285 . . . . 1.0 111.685 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 102' ' ' LEU . 9.4 mp -51.84 -47.72 64.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.208 0.528 . . . . 1.0 111.036 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 106' ' ' ILE . 13.3 pt -73.07 -21.35 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.861 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -37.04 -49.58 0.85 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.022 0.439 . . . . 1.0 110.672 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' C' ' 109' ' ' VAL . 16.1 tt -70.17 -38.93 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.004 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' C' ' 103' ' ' ILE . 28.3 mt -68.4 -35.48 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.769 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' C' ' 109' ' ' VAL . 60.5 t -65.12 -77.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -34.56 -28.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.54 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' C' ' 107' ' ' VAL . 48.7 t -92.67 -83.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.7 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mm -45.19 -34.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.006 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 19.3 m -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.474 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -68.91 -26.29 65.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.423 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.73 -58.93 4.93 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.45 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.411 ' H ' HG22 ' C' ' 114' ' ' ILE . 0.0 OUTLIER -67.2 -40.27 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.635 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 62.0 tp -56.38 -42.64 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.72 -42.26 67.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.245 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -49.07 -24.93 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.629 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -58.64 -26.82 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -68.1 -12.72 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.568 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.562 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 75.8 t80 -55.83 170.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.562 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.01 -1.439 . . . . 1.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.96 -139.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -158.44 152.89 24.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.1 p -152.94 -59.49 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -163.81 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.33 59.92 0.08 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -63.24 -30.54 71.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 1.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.64 -36.61 79.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 68.5 mtm180 -58.15 -39.29 78.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.37 -48.41 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.302 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.28 -49.02 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -65.65 -36.14 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' O ' ' CZ ' ' A' ' 16' ' ' TYR . . . -63.84 -41.85 97.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.47 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.92 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.426 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -92.2 31.32 6.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' A' ' 13' ' ' ALA . 64.8 m-85 -44.28 -19.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 1.0 110.664 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' GLY . 94.6 p -53.48 -24.19 12.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.683 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -50.04 -37.17 31.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 48.6 pttt -54.02 -40.33 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.388 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 19' ' ' LYS . . . -68.83 -32.73 74.16 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.77 -44.69 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 1.0 110.314 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 52.0 ttt85 -57.26 -31.7 65.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.381 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.78 -26.15 61.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.962 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -66.59 -29.46 69.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 1.0 112.043 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CD1' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -46.79 -10.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.91 -0.316 . . . . 1.0 111.804 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' ALA . 19.1 mt -95.89 -30.26 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.86 0.362 . . . . 1.0 110.177 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ALA . 10.8 m120 -108.19 44.13 1.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.811 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -179.9 -86.27 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.043 0.449 . . . . 1.0 110.669 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -70.35 4.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ALA . . . -36.13 -32.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.707 0.289 . . . . 1.0 111.709 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' ALA . 37.6 t80 -95.72 -43.18 8.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.882 0.372 . . . . 1.0 111.089 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.9 -27.51 67.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 1.0 109.531 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.0 tp60 -59.97 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.049 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -41.98 -22.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.551 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.62 -48.32 3.0 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.248 -0.741 . . . . 1.0 111.248 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.95 -41.39 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.315 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -57.01 -62.92 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.628 -0.508 . . . . 1.0 109.628 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.9 t -35.22 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.528 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -89.91 -49.76 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 70.6 mt -65.04 -35.49 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.749 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB1' ' NH2' ' A' ' 55' ' ' ARG . . . -69.78 -25.2 63.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.113 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.4 t -78.72 -38.6 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -49.49 -47.91 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.193 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -74.25 -44.18 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.31 -48.77 46.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.675 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.36 -46.18 89.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.54 -49.07 79.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.432 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.26 101.77 4.34 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.295 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.64 96.58 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.663 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 51' ' ' ASP . 47.6 t -147.53 -98.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.397 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' VAL . 4.6 p-10 40.24 95.27 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.762 0.315 . . . . 1.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.71 179.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.769 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -49.1 -28.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.205 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.12 3.06 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.101 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' NH2' ' HB1' ' A' ' 41' ' ' ALA . 69.6 ttt180 -79.91 -48.08 14.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.77 -37.06 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.041 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.02 -46.07 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.22 -51.11 56.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.438 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 77.2 mt -66.02 -53.56 36.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.058 0.456 . . . . 1.0 110.148 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 m -46.42 -50.54 16.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.069 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.5 t -64.18 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.689 0.281 . . . . 1.0 111.688 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -55.8 -32.4 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.156 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 10.9 tmm? -62.03 -42.07 98.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.593 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.72 -50.71 63.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.952 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 93.7 t -60.86 -36.63 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.869 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLU . 19.8 mtt -57.32 -49.99 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.045 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.7 mt -44.34 -24.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 1.0 110.154 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 t -91.68 -31.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 1.0 111.254 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -95.22 -47.92 6.14 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.095 0.405 . . . . 1.0 112.095 -178.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.0 pt -69.86 -50.83 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.092 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 70' ' ' ILE . 5.8 tp -49.91 -40.76 44.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.358 -0.537 . . . . 1.0 109.741 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.515 HD22 ' H ' ' C' ' 85' ' ' GLU . 4.5 m120 -75.36 -12.48 60.27 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.8 t -89.92 -56.33 3.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.064 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.87 65.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.117 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 71' ' ' LEU . 11.3 tt -51.16 -43.41 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.625 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 75' ' ' ILE . 84.1 mt-10 -80.95 -23.66 38.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.583 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.85 -52.88 63.64 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.983 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 75' ' ' ILE . 3.5 p -53.37 -31.67 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.8 t -85.27 -24.01 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.677 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.5 m-20 -77.36 -103.82 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.024 0.379 . . . . 1.0 112.024 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 82' ' ' ILE . 63.1 mtp180 -100.37 -8.84 22.87 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.669 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.0 tt 34.4 99.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 1.0 111.846 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -133.67 -69.22 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.45 -1.06 . . . . 1.0 110.45 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.5 m 42.07 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.97 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' H ' HD22 ' B' ' 72' ' ' ASN . 87.4 mt-10 -51.15 127.44 19.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.571 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -83.51 -16.11 46.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.727 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.4 m-70 -76.09 -63.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.536 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' HIS . 8.8 pt-20 26.54 47.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.636 0.585 . . . . 1.0 112.339 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.867 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.5 pt? -103.72 -22.09 13.61 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.625 0.25 . . . . 1.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 91' ' ' GLY . 38.7 t -73.3 32.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.766 0.317 . . . . 1.0 110.898 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.99 168.66 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.574 -1.01 . . . . 1.0 110.574 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.419 ' O ' ' SD ' ' A' ' 96' ' ' MET . 22.5 ptt180 -85.85 -24.97 26.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 1.0 109.734 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -52.1 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLY . 66.8 tttt -67.47 -29.57 69.06 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.1 -38.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.643 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.72 -43.88 71.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 179.221 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.56 -36.73 92.84 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -48.48 -33.95 10.29 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.711 -0.288 . . . . 1.0 111.348 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.54 5.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.45 59.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.0 t -69.91 -65.45 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.395 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.15 -47.45 68.75 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.551 0.691 . . . . 1.0 110.262 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' VAL . 1.4 tp -68.25 -18.3 23.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.409 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -47.87 -49.58 29.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.777 0.322 . . . . 1.0 110.924 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.13 -41.35 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.228 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.78 -30.45 24.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.717 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 108' ' ' ALA . 2.7 t -80.91 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 121.159 -0.217 . . . . 1.0 110.544 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -36.84 -29.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 1.0 111.458 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' VAL . 26.1 t -92.44 -81.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.386 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.52 -34.72 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 115' ' ' LEU . 31.0 m -61.53 -54.13 47.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.684 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.81 -27.57 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 1.0 110.431 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 109' ' ' VAL . 52.8 m -65.67 -57.98 6.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.029 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.412 HD13 ' N ' ' B' ' 55' ' ' ARG . 29.0 mt -65.71 -38.08 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.662 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 111' ' ' THR . 3.8 mp -53.71 -30.81 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.54 -36.11 73.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.778 -0.452 . . . . 1.0 109.778 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.01 -22.67 16.26 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.046 0.45 . . . . 1.0 110.26 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.97 -30.93 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.187 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 121' ' ' GLY . 46.2 m80 -68.52 -32.86 73.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 92.9 t80 49.14 -87.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.035 -1.425 . . . . 1.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.96 -139.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -158.45 152.91 24.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 47.9 p -152.98 -59.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -163.82 -37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.18 59.94 0.08 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -63.31 -30.48 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.7 -36.63 79.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.535 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 68.2 mtm180 -58.19 -39.2 78.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.458 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.44 -48.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.328 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.22 -48.95 86.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.196 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.73 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.349 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.52 ' O ' ' CZ ' ' B' ' 16' ' ' TYR . . . -63.83 -41.78 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.488 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -13.88 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.479 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -92.04 31.2 6.09 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.52 ' CZ ' ' O ' ' B' ' 13' ' ' ALA . 64.5 m-85 -44.19 -19.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 15' ' ' GLY . 94.9 p -52.72 -26.83 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -48.64 -37.04 17.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.817 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.407 ' CG ' ' N ' ' B' ' 20' ' ' GLY . 48.5 pttt -54.07 -40.35 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' N ' ' CG ' ' B' ' 19' ' ' LYS . . . -68.84 -32.68 74.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.79 -44.53 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 1.0 110.349 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.567 ' O ' ' CD1' ' B' ' 25' ' ' TRP . 51.9 ttt85 -57.35 -31.62 65.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.84 -26.06 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 26' ' ' ILE . . . -66.65 -29.52 69.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.019 -0.537 . . . . 1.0 112.033 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -46.66 -11.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.862 0.319 . . . . 1.0 111.862 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' B' ' 24' ' ' ALA . 18.9 mt -95.93 -30.26 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-O 120.85 0.357 . . . . 1.0 110.117 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 24' ' ' ALA . 10.8 m120 -108.16 44.16 1.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -179.87 -86.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 1.0 110.652 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -70.4 4.93 1.99 Allowed 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.315 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 29' ' ' ALA . . . -36.11 -32.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.66 0.267 . . . . 1.0 111.687 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 29' ' ' ALA . 37.5 t80 -95.77 -43.17 8.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.023 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -66.84 -27.53 67.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.26 0.552 . . . . 1.0 109.63 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' B' ' 35' ' ' GLY . 53.8 tp60 -59.92 -63.54 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.185 -0.916 . . . . 1.0 109.099 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -42.06 -22.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.598 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -92.59 -48.42 2.98 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -48.0 -41.37 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 121.0 -0.28 . . . . 1.0 110.289 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.94 -62.99 1.36 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.579 ' O ' HG23 ' B' ' 42' ' ' VAL . 2.9 t -35.33 -23.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.52 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 37' ' ' ALA . 12.7 mt -89.85 -49.61 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' B' ' 37' ' ' ALA . 71.6 mt -65.14 -35.55 81.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.763 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' NH2' ' B' ' 55' ' ' ARG . . . -69.7 -25.19 63.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.144 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.7 t -78.73 -38.6 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.771 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -49.41 -48.01 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.704 -0.398 . . . . 1.0 110.226 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.0 mt -74.23 -44.13 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.705 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.79 46.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.633 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 37.4 t -59.19 -46.36 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.296 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -60.44 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.439 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -139.25 101.73 4.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.319 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.71 96.79 10.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.599 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' ASP . 47.9 t -147.7 -98.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' B' ' 50' ' ' VAL . 4.6 p-10 40.15 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 179.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.749 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.692 HD13 ' N ' ' B' ' 53' ' ' ILE . 0.1 OUTLIER -49.24 -27.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.225 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.26 -37.1 3.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 1.0 110.141 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' HB1' ' B' ' 41' ' ' ALA . 69.7 ttt180 -79.89 -48.06 14.07 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.385 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.83 -37.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -49.92 -46.0 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 58' ' ' LEU . 16.8 mt -51.34 -51.02 58.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.456 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' B' ' 63' ' ' MET . 76.3 mt -65.94 -53.59 36.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-O 121.185 0.516 . . . . 1.0 110.234 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.7 m -46.41 -50.54 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 t -64.17 -63.99 1.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 1.0 111.605 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.69 -32.53 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.116 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' B' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.09 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0 109.634 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -65.61 -50.77 63.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.052 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.424 ' O ' ' OE2' ' B' ' 69' ' ' GLU . 93.6 t -60.87 -36.56 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.874 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' GLU . 19.6 mtt -57.45 -49.89 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.769 -0.651 . . . . 1.0 109.975 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -44.44 -24.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 1.0 110.147 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' B' ' 66' ' ' MET . 11.1 t -91.73 -31.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -48.02 6.11 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -178.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 4.1 pt -69.95 -50.65 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.073 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 70' ' ' ILE . 5.9 tp -50.1 -40.64 46.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.337 -0.545 . . . . 1.0 109.769 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.501 HD22 ' H ' ' A' ' 85' ' ' GLU . 4.4 m120 -75.38 -12.48 60.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.9 t -89.99 -56.28 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.051 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.59 -51.87 65.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.438 HG22 ' O ' ' B' ' 71' ' ' LEU . 11.3 tt -51.06 -43.5 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.783 -0.644 . . . . 1.0 109.584 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 83.9 mt-10 -80.9 -23.69 38.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.616 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.99 63.19 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.457 -0.497 . . . . 1.0 110.0 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 75' ' ' ILE . 3.5 p -53.31 -31.65 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.182 -0.674 . . . . 1.0 109.182 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.29 -24.03 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.662 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 63.6 m-20 -77.27 -103.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.075 0.398 . . . . 1.0 112.075 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 82' ' ' ILE . 63.4 mtp180 -100.29 -8.85 22.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.72 0.266 . . . . 1.0 111.72 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.0 tt 34.44 99.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.981 0.419 . . . . 1.0 111.902 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -133.61 -69.24 0.08 OUTLIER Glycine 0 N--CA 1.467 0.743 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.6 m 41.93 -166.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 1.0 111.017 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.534 ' H ' HD22 ' C' ' 72' ' ' ASN . 87.3 mt-10 -51.16 127.43 19.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -83.48 -16.16 46.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' B' ' 88' ' ' GLU . 3.3 m-70 -76.1 -63.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.619 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 87' ' ' HIS . 8.7 pt-20 26.54 48.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.938 -0.574 . . . . 1.0 112.28 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.872 HD23 ' H ' ' B' ' 89' ' ' LEU . 1.5 pt? -103.92 -21.93 13.56 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.693 0.283 . . . . 1.0 111.264 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 91' ' ' GLY . 39.7 t -73.31 32.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 1.0 110.918 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.05 168.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.518 -1.033 . . . . 1.0 110.518 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.426 ' O ' ' SD ' ' B' ' 96' ' ' MET . 22.5 ptt180 -85.83 -25.1 26.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.92 -52.12 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' B' ' 97' ' ' GLY . 66.9 tttt -67.48 -29.48 68.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.59 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.3 -38.57 1.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.582 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 96' ' ' MET . 0.2 OUTLIER -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 179.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.53 -36.76 92.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.8 t -48.56 -33.8 10.31 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.717 -0.284 . . . . 1.0 111.371 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.05 -50.51 5.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.16 -21.41 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.191 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.1 t -69.96 -65.48 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.343 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.02 -47.58 68.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.535 0.683 . . . . 1.0 110.281 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.4 tp -68.14 -18.37 23.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.486 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -47.76 -49.66 27.87 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.86 0.362 . . . . 1.0 110.948 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.1 -41.39 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.212 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 8.2 mm -74.75 -30.39 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.696 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.584 HG12 ' N ' ' B' ' 108' ' ' ALA . 2.7 t -80.94 -74.73 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.41 -0.219 . . . . 1.0 110.41 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.584 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -36.75 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.488 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 107' ' ' VAL . 26.1 t -92.41 -81.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.408 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -48.57 -34.68 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.43 ' O ' HD13 ' B' ' 115' ' ' LEU . 30.9 m -61.62 -54.11 47.28 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.386 -0.526 . . . . 1.0 110.689 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -62.78 -27.6 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.385 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' B' ' 109' ' ' VAL . 55.1 m -65.7 -57.92 6.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.035 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.416 HD13 ' N ' ' C' ' 55' ' ' ARG . 28.4 mt -65.77 -38.01 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.666 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.43 HD13 ' O ' ' B' ' 111' ' ' THR . 3.9 mp -53.73 -30.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.64 -36.04 73.21 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.13 -22.51 17.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -59.07 -30.94 68.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.205 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' B' ' 121' ' ' GLY . 46.4 m80 -68.49 -32.82 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.592 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 92.9 t80 49.05 -87.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.699 0 CA-C-O 117.972 -1.46 . . . . 1.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.94 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.571 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -158.49 152.88 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.567 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 47.0 p -152.98 -59.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.395 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -163.87 -37.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.596 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.3 59.93 0.08 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 1.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.68 -36.63 79.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 68.4 mtm180 -58.21 -39.19 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.38 -48.48 72.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.267 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 69.0 mt -62.26 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -65.69 -36.09 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.451 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.525 ' O ' ' CZ ' ' C' ' 16' ' ' TYR . . . -63.89 -41.85 97.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.01 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -92.08 31.23 6.09 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.525 ' CZ ' ' O ' ' C' ' 13' ' ' ALA . 64.6 m-85 -44.14 -19.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.66 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.466 ' N ' ' O ' ' C' ' 15' ' ' GLY . 96.1 p -53.45 -24.27 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.672 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.6 t90 -50.03 -37.09 31.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.709 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' C' ' 20' ' ' GLY . 48.7 pttt -54.11 -40.3 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.378 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' C' ' 19' ' ' LYS . . . -68.82 -32.8 74.3 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.77 -44.61 95.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 1.0 110.28 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CD1' ' C' ' 25' ' ' TRP . 52.0 ttt85 -57.34 -31.56 65.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.394 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.26 61.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' C' ' 26' ' ' ILE . . . -66.7 -29.39 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 1.0 112.001 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' C' ' 22' ' ' ARG . 0.2 OUTLIER -46.67 -11.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.85 0.315 . . . . 1.0 111.85 -179.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' C' ' 24' ' ' ALA . 19.1 mt -95.9 -30.18 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 120.897 0.38 . . . . 1.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' C' ' 24' ' ' ALA . 10.8 m120 -108.18 44.15 1.14 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.807 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -179.89 -86.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.087 0.47 . . . . 1.0 110.68 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -70.43 5.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.297 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' C' ' 29' ' ' ALA . . . -36.1 -32.1 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.729 0.299 . . . . 1.0 111.707 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' C' ' 29' ' ' ALA . 37.9 t80 -95.77 -43.16 8.0 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.1 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.93 -27.5 67.53 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' C' ' 35' ' ' GLY . 54.0 tp60 -59.89 -63.63 1.23 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.32 -0.854 . . . . 1.0 109.068 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -42.13 -22.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.585 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.61 -48.36 2.99 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -47.97 -41.44 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.03 -0.268 . . . . 1.0 110.295 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.94 -62.89 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.573 ' O ' HG23 ' C' ' 42' ' ' VAL . 2.9 t -35.3 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.458 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' C' ' 37' ' ' ALA . 12.9 mt -89.82 -49.81 6.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' C' ' 37' ' ' ALA . 71.9 mt -64.96 -35.59 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.712 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . 0.473 ' HB1' ' NH2' ' C' ' 55' ' ' ARG . . . -69.68 -25.19 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.7 t -78.68 -38.64 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.745 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -49.44 -47.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 54.8 mt -74.15 -44.24 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.697 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.34 -48.76 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.681 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.43 -46.12 89.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -60.41 -49.22 78.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 84.9 mt -139.28 101.81 4.34 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.63 96.7 10.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' C' ' 51' ' ' ASP . 47.8 t -147.67 -98.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 50' ' ' VAL . 4.6 p-10 40.21 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.766 0.317 . . . . 1.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 179.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.695 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.694 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -49.28 -27.89 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.152 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.1 m -44.32 -37.04 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.097 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.473 ' NH2' ' HB1' ' C' ' 41' ' ' ALA . 69.4 ttt180 -79.95 -48.17 13.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.297 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.72 -37.13 51.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.03 -45.94 52.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.42 -50.91 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.44 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.03 -53.52 36.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 1.0 110.182 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.1 m -46.44 -50.52 16.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.024 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 30.0 t -64.16 -63.97 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 1.0 111.678 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.62 -32.61 31.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.172 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' C' ' 63' ' ' MET . 10.9 tmm? -61.94 -42.2 98.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.594 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.49 -50.89 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.97 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' C' ' 69' ' ' GLU . 94.1 t -60.81 -36.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.885 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.459 ' O ' ' N ' ' C' ' 69' ' ' GLU . 19.5 mtt -57.26 -50.04 74.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.029 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.32 -24.21 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-O 120.88 0.372 . . . . 1.0 110.189 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' C' ' 66' ' ' MET . 11.2 t -91.74 -31.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' C' ' 66' ' ' MET . 0.4 OUTLIER -95.16 -47.99 6.13 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -178.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 73' ' ' SER . 4.0 pt -69.82 -50.86 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.241 -0.583 . . . . 1.0 110.093 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.466 ' N ' ' CG1' ' C' ' 70' ' ' ILE . 5.8 tp -50.0 -40.52 44.62 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.801 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.534 HD22 ' H ' ' B' ' 85' ' ' GLU . 4.4 m120 -75.54 -12.37 60.21 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.8 t -90.02 -56.27 3.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.998 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -51.86 65.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.182 0.515 . . . . 1.0 110.031 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.434 HG22 ' O ' ' C' ' 71' ' ' LEU . 11.3 tt -51.1 -43.45 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.632 -0.713 . . . . 1.0 109.683 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 84.2 mt-10 -80.93 -23.65 38.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.599 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.83 -52.99 63.19 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.468 -0.493 . . . . 1.0 109.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.414 HG12 ' O ' ' C' ' 75' ' ' ILE . 3.5 p -53.35 -31.61 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 82.0 t -85.24 -24.04 7.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.73 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.3 m-20 -77.26 -103.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 82' ' ' ILE . 63.3 mtp180 -100.33 -8.85 22.92 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.708 0.262 . . . . 1.0 111.708 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.9 tt 34.4 99.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.942 0.401 . . . . 1.0 111.814 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -133.7 -69.33 0.08 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.425 ' O ' ' O ' ' C' ' 83' ' ' GLY . 24.2 m 41.99 -166.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.843 0.354 . . . . 1.0 111.022 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . 0.515 ' H ' HD22 ' A' ' 72' ' ' ASN . 87.3 mt-10 -51.14 127.47 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.516 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -83.5 -16.15 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.718 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' C' ' 88' ' ' GLU . 3.4 m-70 -76.12 -63.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' C' ' 87' ' ' HIS . 8.8 pt-20 26.51 48.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.659 0.599 . . . . 1.0 112.248 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.855 HD23 ' H ' ' C' ' 89' ' ' LEU . 1.5 pt? -103.78 -22.05 13.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.209 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.426 ' O ' ' O ' ' C' ' 91' ' ' GLY . 40.1 t -73.22 32.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 1.0 110.867 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.02 168.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 110.582 -1.007 . . . . 1.0 110.582 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.423 ' O ' ' SD ' ' C' ' 96' ' ' MET . 22.5 ptt180 -85.9 -25.05 26.37 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.91 -52.11 58.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' C' ' 97' ' ' GLY . 66.7 tttt -67.49 -29.53 68.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.62 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -42.27 -38.51 1.81 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' C' ' 96' ' ' MET . 0.2 OUTLIER -69.77 -43.78 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.574 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.6 -36.8 92.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -48.51 -33.86 10.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.727 -0.278 . . . . 1.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.99 -50.48 5.68 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.422 -0.585 . . . . 1.0 109.422 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -21.39 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.258 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.574 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.1 t -69.84 -65.5 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.329 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.09 -47.58 68.46 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.595 0.712 . . . . 1.0 110.307 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' C' ' 107' ' ' VAL . 1.4 tp -68.06 -18.36 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.416 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -47.9 -49.65 29.19 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.795 0.331 . . . . 1.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.1 -41.3 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.253 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.81 -30.41 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.646 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.587 HG12 ' N ' ' C' ' 108' ' ' ALA . 2.7 t -80.94 -74.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 122.358 -0.214 . . . . 1.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.587 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -36.76 -29.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 1.0 111.442 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' C' ' 107' ' ' VAL . 26.3 t -92.43 -81.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.35 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 23.1 mm -48.53 -34.84 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 111.907 0.336 . . . . 1.0 111.907 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.425 ' O ' HD13 ' C' ' 115' ' ' LEU . 30.6 m -61.63 -53.93 49.69 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.698 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -62.93 -27.57 69.47 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.374 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' C' ' 109' ' ' VAL . 52.2 m -65.54 -58.02 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 55' ' ' ARG . 28.5 mt -65.74 -38.03 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.721 -178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.425 HD13 ' O ' ' C' ' 111' ' ' THR . 3.8 mp -53.63 -30.88 44.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.52 -36.16 73.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -55.04 -22.63 16.45 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.277 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -58.95 -30.93 68.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' C' ' 121' ' ' GLY . 46.3 m80 -68.56 -32.8 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.9 t80 49.1 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.001 -1.444 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.23 168.78 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 4' ' ' THR . 9.5 t-20 -52.97 164.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.494 ' H ' ' ND2' ' A' ' 3' ' ' ASN . 1.3 t -162.68 140.87 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.585 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m 69.98 -39.72 0.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 4' ' ' THR . . . -77.72 15.91 7.29 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -50.82 -33.38 23.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 1.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 9' ' ' ARG . 9.6 t -61.73 -39.2 90.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 8' ' ' THR . 70.1 mtm180 -55.47 -37.5 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.445 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.8 mp -67.64 -45.62 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.042 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.4 -49.93 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.181 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.33 -37.61 85.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.105 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -69.24 -42.35 75.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.123 0.487 . . . . 1.0 110.569 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.69 -14.23 56.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.326 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -61.5 -69.25 1.35 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.571 -0.612 . . . . 1.0 111.571 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 13' ' ' ALA . 5.7 m-85 43.16 19.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.745 0.307 . . . . 1.0 110.365 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' GLY . 40.9 t -72.46 -29.46 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.641 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -50.31 -38.96 44.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.463 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -67.11 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.08 -40.62 28.64 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 21' ' ' LEU . 7.5 mp -66.44 -39.97 89.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 1.0 110.31 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -65.69 -50.33 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.442 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -29.54 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 3.6 t-105 -43.47 -36.03 1.85 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.185 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.33 -12.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 1.0 111.246 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.23 -63.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.858 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 30' ' ' ALA . 84.0 mt-10 -106.19 -46.71 4.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 25' ' ' TRP . . . -56.18 -4.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -32.13 -39.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.225 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ALA . 28.4 m-85 -67.32 -50.01 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.48 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' ALA . 16.8 mmm180 -63.69 -45.45 89.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.015 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.59 32.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.437 . . . . 1.0 110.542 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 38' ' ' VAL . 48.5 mm-40 -95.2 -43.85 7.89 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.71 -47.09 8.11 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 32' ' ' ARG . 85.5 t -49.97 -48.71 22.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -11.59 45.9 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 34' ' ' GLU . 77.5 t -99.96 -30.26 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.379 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.25 -57.41 2.85 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.92 -0.4 . . . . 1.0 109.92 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.34 72.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.763 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.42 70.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' VAL . 90.5 t -89.54 -43.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.648 0.261 . . . . 1.0 111.589 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.71 -44.52 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.748 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 45' ' ' ALA . 20.8 tt -60.78 -45.25 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.334 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -63.43 -30.04 71.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.24 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.34 -48.47 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.249 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -50.38 -52.17 39.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.97 -104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.282 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.8 t0 -159.82 -156.42 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 14.8 m -97.85 168.95 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' H ' HD11 ' B' ' 53' ' ' ILE . 14.0 p-10 -156.73 -148.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.769 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.18 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.111 0.481 . . . . 1.0 111.553 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 56' ' ' VAL . 30.8 pt -65.42 -26.73 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.344 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 54' ' ' THR . 23.9 p -41.9 -25.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.733 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ILE . 48.2 ttp85 -79.03 -47.81 15.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.588 -0.733 . . . . 1.0 109.175 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' ILE . 57.8 t -65.58 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.766 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.17 -43.19 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 1.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 62' ' ' VAL . 3.5 tt -50.58 -50.97 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.534 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 59' ' ' ILE . 11.5 pt -78.47 -40.88 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.683 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -45.98 -55.33 6.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.581 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -60.66 -51.04 71.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.297 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.546 HG22 HD12 ' C' ' 103' ' ' ILE . 89.3 t -55.06 -39.2 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.245 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.7 mtm -70.28 -49.84 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -55.63 -51.98 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.087 -0.245 . . . . 1.0 111.636 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.66 -30.09 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.117 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -58.37 -38.19 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.086 -0.709 . . . . 1.0 109.086 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' C' ' 66' ' ' MET . 41.9 mm -50.37 -49.09 24.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.22 -0.9 . . . . 1.0 110.992 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 t -84.98 -32.25 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 1.0 112.262 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -91.27 -80.96 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.507 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mm -43.91 -54.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -38.11 66.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.329 -0.948 . . . . 1.0 109.699 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.69 -11.85 59.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.099 0.476 . . . . 1.0 109.79 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ALA . 5.9 p -89.55 -52.81 4.83 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.07 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.548 ' HB1' HD11 ' B' ' 75' ' ' ILE . . . -58.83 -50.95 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.161 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 ' HB1' ' C' ' 74' ' ' ALA . 4.2 mm -52.91 -29.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.616 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 80' ' ' ASP . 42.9 mm-40 -92.92 -26.08 17.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.99 -52.2 66.49 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.39 -36.28 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.274 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.17 -27.95 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.58 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.9 m-20 -83.61 -111.15 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 112.002 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.694 ' HE ' ' NH1' ' C' ' 92' ' ' ARG . 60.3 mtm180 -106.07 -33.94 7.72 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.193 -0.458 . . . . 1.0 112.089 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.478 ' O ' ' O ' ' A' ' 81' ' ' ARG . 4.5 tt 37.0 102.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.457 0.646 . . . . 1.0 111.565 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.57 59.87 0.54 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.9 t -41.59 143.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.923 0.392 . . . . 1.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 10.2 mp0 -63.34 165.35 7.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.544 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -83.87 -38.06 21.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -63.0 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.956 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -47.44 97.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 1.0 110.33 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 91' ' ' GLY . 5.3 tp -155.84 -21.1 0.11 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.793 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -63.04 61.42 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.882 0.373 . . . . 1.0 111.552 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 56.32 166.92 0.06 OUTLIER Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.684 ' NH1' ' HE ' ' B' ' 81' ' ' ARG . 32.3 ptt-85 -86.11 -19.36 30.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.096 0.474 . . . . 1.0 109.961 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -50.43 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.609 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.0 -34.69 78.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.164 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 32.4 m-20 -42.07 -35.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.004 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.4 mtt -74.16 -44.63 52.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.072 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.75 -38.77 96.02 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.231 -1.147 . . . . 1.0 110.231 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.6 p -48.67 -27.04 2.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.854 0.359 . . . . 1.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -58.82 -21.3 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.388 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 40.9 t -72.66 -64.62 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.33 -46.14 69.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.398 0.618 . . . . 1.0 111.029 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.516 HD12 HG22 ' B' ' 62' ' ' VAL . 4.9 pt -71.91 -17.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . -44.8 -48.93 10.97 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.353 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 3.2 pt -65.5 -42.72 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.346 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 110' ' ' ILE . 95.2 mt -74.35 -64.12 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 120.121 -0.631 . . . . 1.0 111.108 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' VAL . 42.0 t -50.46 -77.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.87 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 104' ' ' ALA . . . -32.04 -34.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.088 0.47 . . . . 1.0 111.641 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.9 t -90.64 -76.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.5 mp -45.13 -29.58 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.521 -0.309 . . . . 1.0 110.885 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 112' ' ' TRP . 7.1 t -62.72 -45.72 91.42 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.454 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.517 ' N ' HG23 ' A' ' 111' ' ' THR . 60.4 t-105 -64.52 -27.92 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.12 -57.32 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.66 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.584 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.8 tt -55.76 -48.01 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -59.92 -45.02 93.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.969 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 120' ' ' PHE . 9.0 t -49.43 -37.07 24.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.97 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' A' ' 121' ' ' GLY . 89.8 t80 -44.99 162.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 1.0 110.596 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.737 0 CA-C-O 118.016 -1.436 . . . . 1.0 110.954 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.24 168.69 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' B' ' 4' ' ' THR . 9.4 t-20 -52.94 164.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.631 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.492 ' H ' ' ND2' ' B' ' 3' ' ' ASN . 1.3 t -162.78 140.86 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m 70.01 -39.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' B' ' 4' ' ' THR . . . -77.6 15.83 7.16 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -50.87 -33.33 23.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 1.0 110.43 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.445 HG23 ' N ' ' B' ' 9' ' ' ARG . 9.6 t -61.73 -39.21 90.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.445 ' N ' HG23 ' B' ' 8' ' ' THR . 70.0 mtm180 -55.5 -37.39 67.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.482 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.678 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.8 mp -67.75 -45.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.976 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.47 -49.81 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.79 -0.364 . . . . 1.0 110.193 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.35 -37.69 85.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.062 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -69.18 -42.34 75.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.059 0.457 . . . . 1.0 110.571 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 -14.17 56.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.357 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -61.52 -69.23 1.36 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.531 -0.627 . . . . 1.0 111.531 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' B' ' 13' ' ' ALA . 5.7 m-85 43.05 19.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.32 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.494 ' N ' ' O ' ' B' ' 15' ' ' GLY . 40.7 t -72.47 -29.43 63.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.638 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -50.31 -38.89 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -67.23 -37.55 83.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.19 -40.63 29.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 21' ' ' LEU . 7.5 mp -66.38 -40.0 89.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 1.0 110.313 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -65.62 -50.33 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.694 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.16 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.457 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.16 -29.61 66.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.566 ' CD1' ' CB ' ' B' ' 29' ' ' ALA . 3.6 t-105 -43.45 -35.9 1.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.195 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 pt -57.46 -12.24 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 1.0 111.196 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.35 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.897 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 30' ' ' ALA . 83.6 mt-10 -106.13 -46.91 3.96 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' B' ' 25' ' ' TRP . . . -56.05 -4.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -32.08 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.196 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.29 -50.01 61.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.482 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' ALA . 16.8 mmm180 -63.54 -45.54 90.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.013 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.92 -15.61 32.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.001 0.429 . . . . 1.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 38' ' ' VAL . 48.5 mm-40 -95.1 -43.93 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.291 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -47.23 8.12 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 32' ' ' ARG . 85.1 t -49.94 -48.7 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.214 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.63 -11.63 46.31 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.896 -0.322 . . . . 1.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 34' ' ' GLU . 78.5 t -99.91 -30.19 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.421 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.24 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.977 -0.379 . . . . 1.0 109.977 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -56.75 -38.35 72.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -31.41 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.441 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 38' ' ' VAL . 89.7 t -89.51 -43.84 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 120.67 0.271 . . . . 1.0 111.586 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.63 -44.49 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.75 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.55 HG23 ' N ' ' B' ' 45' ' ' ALA . 20.8 tt -60.88 -45.2 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.35 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.55 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -63.34 -30.15 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.25 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.28 -48.47 42.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.28 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.42 -52.08 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.105 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.02 -104.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.354 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.8 t0 -159.87 -156.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.547 -0.297 . . . . 1.0 110.385 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.5 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 14.6 m -97.92 168.91 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.517 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.472 ' H ' HD11 ' C' ' 53' ' ' ILE . 14.0 p-10 -156.65 -148.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.787 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.24 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 1.0 111.661 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 56' ' ' VAL . 30.9 pt -65.4 -26.79 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.291 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.5 p -41.83 -25.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.825 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 53' ' ' ILE . 48.3 ttp85 -79.01 -47.85 15.51 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.524 -0.762 . . . . 1.0 109.114 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 53' ' ' ILE . 57.5 t -65.55 -31.79 55.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.305 -0.861 . . . . 1.0 110.736 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tp -53.09 -43.27 66.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.018 0.437 . . . . 1.0 110.564 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.543 ' O ' HG23 ' B' ' 62' ' ' VAL . 3.5 tt -50.49 -51.0 51.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.419 ' H ' HG12 ' B' ' 59' ' ' ILE . 11.3 pt -78.57 -40.81 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -46.03 -55.28 7.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.61 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -60.61 -51.16 70.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 1.0 110.35 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 58' ' ' LEU . 89.6 t -55.01 -39.17 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.201 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.16 -49.91 45.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.64 -52.02 65.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.619 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -30.16 47.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.447 ' SD ' HD12 ' C' ' 67' ' ' ILE . 0.0 OUTLIER -58.21 -38.17 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 179.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 66' ' ' MET . 41.5 mm -50.46 -49.1 25.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.165 -0.925 . . . . 1.0 111.013 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.95 -32.21 7.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.327 0.492 . . . . 1.0 112.327 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -91.2 -81.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 31.1 mm -43.76 -54.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.506 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -54.67 -38.2 66.68 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.332 -0.947 . . . . 1.0 109.721 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.74 -11.67 59.99 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 77' ' ' ALA . 5.9 p -89.63 -52.91 4.77 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.733 -0.667 . . . . 1.0 109.97 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.566 ' HB1' HD11 ' C' ' 75' ' ' ILE . . . -58.79 -50.96 72.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.548 HD11 ' HB1' ' A' ' 74' ' ' ALA . 4.3 mm -52.84 -29.51 14.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.896 -1.047 . . . . 1.0 109.606 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 80' ' ' ASP . 43.0 mm-40 -92.82 -26.09 17.83 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.87 -52.23 66.32 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.39 -36.31 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.245 -0.889 . . . . 1.0 109.332 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.24 -27.84 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.503 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.7 m-20 -83.69 -111.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.99 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.684 ' HE ' ' NH1' ' A' ' 92' ' ' ARG . 60.3 mtm180 -106.08 -33.85 7.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.129 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.479 ' O ' ' O ' ' B' ' 81' ' ' ARG . 4.6 tt 36.94 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.441 0.638 . . . . 1.0 111.639 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.65 60.03 0.53 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.569 -1.012 . . . . 1.0 110.569 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 45.3 t -41.56 143.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 1.0 110.975 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' B' ' 85' ' ' GLU . 10.2 mp0 -63.26 165.31 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -83.84 -38.03 21.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -62.99 -62.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.983 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.47 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' B' ' 91' ' ' GLY . 5.3 tp -155.9 -21.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.749 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.5 m -63.08 61.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.924 0.392 . . . . 1.0 111.603 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 56.34 166.9 0.06 OUTLIER Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.689 ' NH1' ' HE ' ' C' ' 81' ' ' ARG . 32.3 ptt-85 -86.04 -19.44 30.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.167 0.508 . . . . 1.0 110.002 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.43 66.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.66 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -67.08 -34.64 78.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.123 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 32.4 m-20 -42.16 -35.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.978 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 24.0 mtt -74.08 -44.68 53.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.116 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.455 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.71 -38.71 95.98 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.215 -1.154 . . . . 1.0 110.215 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.0 p -48.85 -26.98 2.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.791 0.329 . . . . 1.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.38 -48.25 7.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.101 0.477 . . . . 1.0 109.825 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -58.81 -21.23 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.32 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 97' ' ' GLY . 40.6 t -72.71 -64.61 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.27 -46.22 69.18 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.473 0.654 . . . . 1.0 111.054 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 62' ' ' VAL . 4.9 pt -71.84 -17.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' B' ' 108' ' ' ALA . . . -44.88 -48.84 11.19 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 3.2 pt -65.56 -42.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' B' ' 110' ' ' ILE . 95.1 mt -74.43 -63.97 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.086 -0.646 . . . . 1.0 111.138 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' B' ' 103' ' ' ILE . 41.7 t -50.61 -76.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.895 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' B' ' 104' ' ' ALA . . . -32.06 -34.75 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.041 0.448 . . . . 1.0 111.63 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.7 t -90.59 -76.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.487 ' N ' HD12 ' B' ' 110' ' ' ILE . 1.5 mp -45.05 -29.61 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.866 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 112' ' ' TRP . 7.1 t -62.71 -45.69 91.58 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.489 -0.484 . . . . 1.0 110.466 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . 0.503 ' N ' HG23 ' B' ' 111' ' ' THR . 60.4 t-105 -64.6 -27.92 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.13 -57.38 8.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -39.63 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.591 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.565 ' O ' HD23 ' B' ' 115' ' ' LEU . 1.8 tt -55.87 -47.94 76.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.524 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -59.87 -45.02 93.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.05 179.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.34 -40.26 90.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.402 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.9 t -49.48 -37.09 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.443 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.56 4.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.979 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.519 ' CG ' ' N ' ' B' ' 121' ' ' GLY . 89.7 t80 -45.06 163.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.989 -1.45 . . . . 1.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -62.22 168.73 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.57 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' C' ' 4' ' ' THR . 9.4 t-20 -52.93 164.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.625 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.506 ' H ' ' ND2' ' C' ' 3' ' ' ASN . 1.3 t -162.69 140.89 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m 69.97 -39.66 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.694 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 4' ' ' THR . . . -77.75 15.88 7.38 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -50.81 -33.4 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 1.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.456 HG23 ' N ' ' C' ' 9' ' ' ARG . 9.6 t -61.68 -39.23 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.456 ' N ' HG23 ' C' ' 8' ' ' THR . 69.9 mtm180 -55.51 -37.44 67.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.461 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.682 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.8 mp -67.69 -45.56 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.023 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.43 -49.86 82.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.175 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.4 -37.6 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.087 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -69.23 -42.35 75.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 1.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.82 -14.08 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -61.58 -69.15 1.38 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.552 -0.619 . . . . 1.0 111.552 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 5.7 m-85 43.07 19.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 1.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.498 ' N ' ' O ' ' C' ' 15' ' ' GLY . 40.8 t -72.52 -29.38 63.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -50.37 -38.9 44.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -67.11 -37.62 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.529 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.14 -40.6 29.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.58 ' N ' HD12 ' C' ' 21' ' ' LEU . 7.5 mp -66.46 -39.95 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.728 0.299 . . . . 1.0 110.249 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -65.7 -50.26 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.708 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.19 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.459 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.57 66.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.564 ' CD1' ' CB ' ' C' ' 29' ' ' ALA . 3.6 t-105 -43.59 -35.9 1.9 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.207 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.409 ' H ' HG23 ' C' ' 26' ' ' ILE . 5.1 pt -57.28 -12.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 1.0 111.206 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -61.24 -63.28 1.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.909 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' C' ' 30' ' ' ALA . 83.9 mt-10 -106.2 -46.84 3.96 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.614 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' C' ' 25' ' ' TRP . . . -56.07 -4.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.837 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -32.07 -39.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.233 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' C' ' 29' ' ' ALA . 28.2 m-85 -67.32 -49.95 62.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.531 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' C' ' 29' ' ' ALA . 16.9 mmm180 -63.64 -45.54 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.988 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.93 -15.63 33.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.064 0.459 . . . . 1.0 110.595 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.503 ' O ' HG23 ' C' ' 38' ' ' VAL . 48.8 mm-40 -95.09 -43.87 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.268 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.57 -47.24 8.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 32' ' ' ARG . 85.2 t -50.04 -48.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.254 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.74 -11.5 46.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.503 HG23 ' O ' ' C' ' 34' ' ' GLU . 77.5 t -99.91 -30.27 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.372 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.23 -57.48 2.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.564 ' O ' HD23 ' C' ' 40' ' ' LEU . 0.8 OUTLIER -56.73 -38.4 72.31 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.729 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.96 -31.34 70.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.417 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' C' ' 38' ' ' VAL . 88.4 t -89.58 -43.7 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.6 0.238 . . . . 1.0 111.578 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.76 -44.44 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.484 -0.326 . . . . 1.0 110.701 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.558 HG23 ' N ' ' C' ' 45' ' ' ALA . 20.8 tt -60.93 -45.2 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.347 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.558 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -63.35 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 49.6 t -72.3 -48.61 40.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.257 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -50.31 -52.08 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 mt -79.97 -104.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.321 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.8 t0 -159.89 -156.4 0.5 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.341 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . 0.493 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 14.8 m -97.93 168.84 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.51 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.475 ' H ' HD11 ' A' ' 53' ' ' ILE . 13.9 p-10 -156.64 -148.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.783 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.13 -174.05 5.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.074 0.464 . . . . 1.0 111.641 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' C' ' 56' ' ' VAL . 30.4 pt -65.51 -26.69 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.312 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . 0.415 HG23 ' H ' ' C' ' 54' ' ' THR . 23.8 p -41.91 -25.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.718 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' C' ' 53' ' ' ILE . 48.3 ttp85 -79.04 -47.74 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.201 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' C' ' 53' ' ' ILE . 57.9 t -65.63 -31.73 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.73 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.1 -43.29 66.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.011 0.434 . . . . 1.0 110.467 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.549 ' O ' HG23 ' C' ' 62' ' ' VAL . 3.5 tt -50.5 -50.99 51.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.635 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.433 HG12 ' H ' ' C' ' 59' ' ' ILE . 11.4 pt -78.51 -40.86 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.69 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' B' ' 59' ' ' ILE . 5.5 t -45.97 -55.37 6.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.54 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 9.1 t -60.72 -51.03 71.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.214 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.549 HG23 ' O ' ' C' ' 58' ' ' LEU . 89.3 t -55.13 -39.08 49.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.225 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 70.9 mtm -70.26 -49.95 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.55 -52.09 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.632 0.234 . . . . 1.0 111.632 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.52 -30.25 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.077 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.45 ' SD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -58.23 -38.21 76.38 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.447 HD12 ' SD ' ' B' ' 66' ' ' MET . 41.4 mm -50.33 -49.12 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.035 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.93 -32.24 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -91.19 -80.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.984 0.421 . . . . 1.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . . . . . . . . . 31.3 mm -43.9 -54.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.586 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' C' ' 71' ' ' LEU . 0.1 OUTLIER -54.73 -38.13 66.75 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 119.393 -0.923 . . . . 1.0 109.677 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.73 -11.83 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 1.0 109.792 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.475 ' O ' ' N ' ' C' ' 77' ' ' ALA . 5.8 p -89.48 -52.91 4.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.079 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 75' ' ' ILE . . . -58.85 -50.89 72.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.621 -0.718 . . . . 1.0 109.191 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.566 HD11 ' HB1' ' B' ' 74' ' ' ALA . 4.3 mm -52.87 -29.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.583 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' C' ' 80' ' ' ASP . 43.0 mm-40 -92.91 -25.97 17.82 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.888 -0.412 . . . . 1.0 109.888 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.97 -52.23 66.36 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.34 -36.28 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.278 -0.874 . . . . 1.0 109.325 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.35 -27.83 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.524 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' C' ' 76' ' ' GLU . 62.0 m-20 -83.71 -111.2 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.938 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.689 ' HE ' ' NH1' ' B' ' 92' ' ' ARG . 60.1 mtm180 -105.98 -33.92 7.76 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.182 0.438 . . . . 1.0 112.182 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' C' ' 81' ' ' ARG . 4.5 tt 36.96 102.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.488 0.661 . . . . 1.0 111.583 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.62 60.03 0.53 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.526 -1.03 . . . . 1.0 110.526 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.8 t -41.65 143.55 0.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.793 0.33 . . . . 1.0 111.012 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 10.1 mp0 -63.34 165.3 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -83.82 -38.08 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -62.98 -62.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.932 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -47.54 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' C' ' 91' ' ' GLY . 5.9 tp -155.8 -21.03 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.727 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -63.14 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.983 0.42 . . . . 1.0 111.621 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 56.26 166.96 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.694 ' NH1' ' HE ' ' A' ' 81' ' ' ARG . 32.3 ptt-85 -86.14 -19.4 30.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 1.0 109.91 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.47 66.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.622 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -67.06 -34.56 77.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.812 0.339 . . . . 1.0 111.236 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 32.4 m-20 -42.02 -35.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.017 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 24.2 mtt -74.25 -44.6 52.36 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.666 -0.414 . . . . 1.0 110.087 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.46 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.6 -38.85 96.23 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.255 -1.138 . . . . 1.0 110.255 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 69.5 p -48.73 -26.99 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.745 0.307 . . . . 1.0 110.56 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.5 -48.15 7.27 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -58.89 -21.22 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.679 . . . . 1.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.46 HG23 ' O ' ' C' ' 97' ' ' GLY . 40.5 t -72.84 -64.48 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 112.306 0.484 . . . . 1.0 112.306 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 mt -53.34 -46.22 69.41 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.403 0.62 . . . . 1.0 110.988 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 62' ' ' VAL . 4.9 pt -71.86 -17.76 19.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' C' ' 108' ' ' ALA . . . -44.79 -48.96 10.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.941 0.4 . . . . 1.0 110.381 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 3.2 pt -65.5 -42.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.348 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' C' ' 110' ' ' ILE . 95.2 mt -74.48 -63.96 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.077 -0.649 . . . . 1.0 111.097 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' C' ' 109' ' ' VAL . 41.9 t -50.63 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.885 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' C' ' 104' ' ' ALA . . . -31.96 -34.8 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.096 0.474 . . . . 1.0 111.649 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.9 t -90.66 -75.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . 0.486 ' N ' HD12 ' C' ' 110' ' ' ILE . 1.5 mp -45.15 -29.65 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.857 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 112' ' ' TRP . 7.1 t -62.55 -45.84 91.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.467 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . 0.512 ' N ' HG23 ' C' ' 111' ' ' THR . 60.5 t-105 -64.56 -27.95 69.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.561 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -65.15 -57.35 8.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.64 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.488 -0.323 . . . . 1.0 110.619 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.569 ' O ' HD23 ' C' ' 115' ' ' LEU . 1.9 tt -55.89 -47.88 76.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.528 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -59.82 -45.17 93.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.913 179.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -60.35 -40.27 90.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.313 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.497 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.9 t -49.48 -37.02 24.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.5 4.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.024 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' C' ' 121' ' ' GLY . 89.6 t80 -44.91 163.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 1.0 110.553 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.682 0 CA-C-O 117.974 -1.459 . . . . 1.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -168.35 94.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.16 163.56 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -163.75 141.61 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -153.06 -37.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.39 42.57 0.02 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -51.25 -29.77 15.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -66.25 -36.64 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 72.5 ttt180 -57.44 -37.76 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.4 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.69 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.9 mp -66.99 -46.83 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.9 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.0 -49.29 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.112 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -66.02 -36.96 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.422 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -63.93 -39.63 94.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.687 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -14.4 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.637 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -92.09 -15.92 52.4 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 13' ' ' ALA . 48.6 m-85 40.26 22.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 1.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' GLY . 35.9 p -77.32 -39.68 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -58.2 -42.48 86.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.28 -42.47 99.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.67 -22.4 78.01 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.35 -25.4 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 1.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.44 -50.37 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.46 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -64.06 -44.84 91.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.357 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 26' ' ' ILE . . . -51.69 -29.06 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.542 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.4 ' C ' ' H ' ' A' ' 27' ' ' ASN . 5.5 t-105 -71.08 35.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.476 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 24' ' ' ALA . 14.2 pt -55.25 -11.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.203 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 16.2 p-10 -60.25 -60.97 2.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.435 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 30' ' ' ALA . 66.4 mt-10 -107.19 -44.84 4.26 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.752 0.311 . . . . 1.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -58.03 -3.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' O ' ' SD ' ' C' ' 96' ' ' MET . . . -32.93 -39.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.662 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -96.63 -35.62 10.99 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.253 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.24 -41.61 99.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.012 0.434 . . . . 1.0 110.095 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.01 -63.31 1.34 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.571 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.6 tt0 -44.43 -36.41 2.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.941 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.79 -58.67 7.99 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.82 -34.27 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -6.5 9.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.34 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 34' ' ' GLU . 23.6 t -103.36 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.323 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.3 mp -91.93 -48.67 6.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.162 0.506 . . . . 1.0 110.648 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.66 -42.16 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.109 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.47 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.32 0.489 . . . . 1.0 112.32 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 43' ' ' VAL . 10.6 m -96.5 -37.65 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 39' ' ' LEU . 25.6 t -57.92 -48.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.569 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 45' ' ' ALA . 4.4 pt -72.82 -46.98 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.253 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 44' ' ' ILE . . . -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 1.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -71.63 -46.54 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.331 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -52.67 -44.92 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -95.32 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.434 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 45.6 p-10 -84.42 -160.12 0.45 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.656 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.42 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.6 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.36 152.91 51.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.002 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.57 -59.84 2.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.407 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.837 HD11 HG21 ' C' ' 56' ' ' VAL . 9.6 tp -173.44 -31.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.579 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -50.0 -35.12 23.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.749 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -78.87 -48.06 15.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 HD11 ' B' ' 53' ' ' ILE . 94.3 t -63.25 -45.23 98.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.619 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.1 tt -48.47 -50.56 31.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 1.0 109.914 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 62' ' ' VAL . 79.6 mt -46.72 -41.99 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.691 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.21 -49.99 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.907 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.14 -55.79 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.387 -0.37 . . . . 1.0 111.716 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 t -63.98 -63.03 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.116 0.484 . . . . 1.0 110.531 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 58' ' ' LEU . 45.1 t -51.33 -32.08 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.867 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.6 ttm -58.84 -30.94 68.05 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.429 -0.508 . . . . 1.0 109.929 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' C' ' 38' ' ' VAL . 37.1 mt -64.0 -44.99 90.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.3 -33.65 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.935 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ILE . 31.1 mtt -62.55 -49.85 73.66 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.287 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -44.31 -30.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.684 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.39 -28.7 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.761 0.315 . . . . 1.0 111.63 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.23 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.778 0.323 . . . . 1.0 111.053 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 66' ' ' MET . 44.5 mm -62.34 -60.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.35 -36.72 44.3 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.946 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.47 -11.05 60.68 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.43 0.634 . . . . 1.0 109.395 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.2 p -89.73 -54.25 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.91 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' OG ' ' A' ' 73' ' ' SER . . . -59.44 -52.09 67.07 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.546 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 76' ' ' GLU . 10.7 tp -50.45 -46.08 26.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.155 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 75' ' ' ILE . 15.0 tt0 -79.73 -23.7 42.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.06 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.08 -54.78 43.07 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.531 -0.467 . . . . 1.0 110.759 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.94 -31.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -82.59 -33.67 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.237 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' GLU . 84.3 m-20 -83.01 -108.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 83' ' ' GLY . 73.6 mtp180 -104.53 6.02 34.39 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.321 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt 67.2 -28.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 81' ' ' ARG . . . 105.78 1.78 39.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 4.4 t 65.45 59.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 1.0 110.964 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.12 88.26 7.45 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.339 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.443 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 56.9 m-85 -79.01 -31.44 44.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.975 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 87' ' ' HIS . 2.2 m-70 -58.79 -63.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.895 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' C ' ' H ' ' A' ' 90' ' ' SER . 5.8 tt0 32.73 -146.31 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.331 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.6 tp 62.72 -27.51 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.278 0.473 . . . . 1.0 112.278 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.582 ' H ' ' C ' ' A' ' 88' ' ' GLU . 11.7 m -52.9 -1.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.882 0.326 . . . . 1.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.21 172.29 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 110.554 -1.019 . . . . 1.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.06 -24.55 21.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.68 -52.61 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.791 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -69.08 -28.3 66.39 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.947 0.403 . . . . 1.0 111.192 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 80.4 m-20 -44.31 -41.43 5.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.466 -0.494 . . . . 1.0 110.805 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' B' ' 30' ' ' ALA . 6.1 mtp -82.23 -50.3 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.886 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -61.26 -46.54 94.24 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.371 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -49.36 -31.0 8.5 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.764 0.316 . . . . 1.0 111.092 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.83 -53.12 4.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.52 -21.83 62.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.799 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.1 p -72.17 -62.18 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.591 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.4 tp -52.93 -44.79 67.28 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.895 0.855 . . . . 1.0 109.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 107' ' ' VAL . 28.5 mm -75.05 -22.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.3 -0.863 . . . . 1.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -38.16 -49.01 1.31 Allowed 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.092 0.473 . . . . 1.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.7 pt -69.56 -40.72 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.299 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 89.7 mt -70.73 -34.72 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.272 -0.571 . . . . 1.0 112.291 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.892 HG13 ' H ' ' A' ' 108' ' ' ALA . 9.4 p -82.86 -71.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.892 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -38.96 -28.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.627 0.251 . . . . 1.0 111.455 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 105' ' ' ILE . 87.0 t -86.05 -80.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.338 . . . . 1.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.54 -24.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.132 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 49.8 m -59.37 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 1.0 110.566 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.2 -22.47 11.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.42 -57.56 9.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.366 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.665 ' H ' HD12 ' A' ' 114' ' ' ILE . 1.8 mp -65.17 -46.46 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.938 -0.305 . . . . 1.0 111.327 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.11 -33.79 65.44 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.53 -45.96 60.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.457 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.12 -20.97 1.67 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.29 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -60.02 -26.44 66.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.306 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -63.53 -5.84 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.544 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.517 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 71.0 t80 -78.99 -98.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.517 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.7 0 CA-C-O 117.994 -1.448 . . . . 1.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.385 -0.598 . . . . 1.0 109.385 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -168.28 94.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.06 163.58 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 13.9 m -163.77 141.57 7.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 46.4 p -152.97 -37.83 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.47 42.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -51.2 -29.91 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 1.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -66.07 -36.73 84.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 72.5 ttt180 -57.35 -37.86 73.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.684 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.9 mp -66.87 -46.94 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.838 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.93 -49.32 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.373 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -63.88 -39.56 94.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.51 -14.28 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.706 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' B' ' 17' ' ' SER . . . -92.19 -15.99 51.9 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' B' ' 13' ' ' ALA . 48.7 m-85 40.51 21.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.772 0.32 . . . . 1.0 111.037 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 15' ' ' GLY . 36.5 p -76.68 -40.1 50.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -57.86 -42.52 84.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.26 -42.5 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -22.58 77.85 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.01 -25.85 63.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 1.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -63.21 -50.34 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.549 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.475 ' O ' HG23 ' B' ' 26' ' ' ILE . . . -64.09 -44.79 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.385 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' B' ' 26' ' ' ILE . . . -51.74 -29.05 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.482 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -71.11 35.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.505 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' B' ' 24' ' ' ALA . 14.2 pt -55.33 -11.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 28' ' ' GLU . 16.2 p-10 -60.23 -61.0 2.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.48 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 66.3 mt-10 -107.1 -44.85 4.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 1.0 110.721 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -58.11 -3.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.756 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.503 ' O ' ' SD ' ' A' ' 96' ' ' MET . . . -32.82 -39.37 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.652 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -96.62 -35.7 10.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.251 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.15 -41.67 99.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.071 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.633 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 38' ' ' VAL . 30.5 tt0 -44.6 -36.26 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.93 -58.61 7.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 109.386 -1.486 . . . . 1.0 109.386 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.4 t -49.83 -34.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.4 -6.43 10.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.284 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' C' ' 64' ' ' LEU . 24.0 t -103.4 -24.69 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.302 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.3 mp -91.98 -48.55 6.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.136 0.493 . . . . 1.0 110.703 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.66 -42.07 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -28.51 69.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.304 0.483 . . . . 1.0 112.304 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -96.48 -37.54 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 39' ' ' LEU . 25.6 t -58.02 -48.68 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.466 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.473 ' CG1' ' N ' ' B' ' 45' ' ' ALA . 4.4 pt -72.8 -47.02 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.23 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 44' ' ' ILE . . . -59.03 -34.62 72.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.55 -46.57 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -52.75 -44.85 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.2 mt -95.37 -144.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ALA . 45.7 p-10 -84.49 -160.08 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.92 -151.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.564 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.34 152.93 51.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.358 -0.383 . . . . 1.0 109.987 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.67 -59.78 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.331 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.827 HD11 HG21 ' A' ' 56' ' ' VAL . 9.6 tp -173.53 -31.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.61 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.748 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -78.88 -48.05 15.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 1.0 110.784 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.825 HG21 HD11 ' C' ' 53' ' ' ILE . 94.2 t -63.36 -45.09 99.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.661 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.1 tt -48.57 -50.51 32.03 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.891 -0.411 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.503 ' O ' HG23 ' B' ' 62' ' ' VAL . 79.7 mt -46.75 -41.92 16.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.685 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 80.3 mt -78.27 -49.95 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.892 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -51.25 -55.78 16.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.709 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.1 t -63.95 -63.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.002 0.43 . . . . 1.0 110.489 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 58' ' ' LEU . 45.3 t -51.37 -32.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 63' ' ' MET . 30.6 ttm -58.8 -31.01 68.05 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.859 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.453 ' HB3' HG22 ' A' ' 38' ' ' VAL . 36.7 mt -63.94 -45.05 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.24 -33.6 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.934 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' B' ' 70' ' ' ILE . 31.0 mtt -62.68 -49.71 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.273 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.39 -30.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.624 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -91.5 -28.61 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.671 0.272 . . . . 1.0 111.56 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -95.22 -57.23 2.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.856 0.36 . . . . 1.0 111.105 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.6 mm -62.51 -60.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.167 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.38 -36.64 44.27 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.962 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -71.5 -11.0 60.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.368 0.604 . . . . 1.0 109.374 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.493 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.2 p -89.78 -54.27 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.882 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.442 ' N ' ' OG ' ' B' ' 73' ' ' SER . . . -59.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.498 -0.774 . . . . 1.0 109.622 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.459 HG23 ' N ' ' B' ' 76' ' ' GLU . 10.7 tp -50.39 -46.1 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.428 -0.806 . . . . 1.0 110.2 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.459 ' N ' HG23 ' B' ' 75' ' ' ILE . 15.0 tt0 -79.76 -23.67 42.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.805 -0.358 . . . . 1.0 111.07 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.06 -54.71 43.89 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.77 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -54.09 -31.16 21.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -82.62 -33.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.165 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 76' ' ' GLU . 84.3 m-20 -82.95 -108.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.51 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' B' ' 83' ' ' GLY . 73.5 mtp180 -104.53 6.0 34.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.356 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' B' ' 77' ' ' ALA . 5.7 mt 67.3 -28.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.429 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' B' ' 81' ' ' ARG . . . 105.94 1.66 39.28 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.426 ' OG ' ' CE2' ' B' ' 86' ' ' TYR . 4.3 t 65.43 59.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.755 0.312 . . . . 1.0 110.942 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.16 88.23 7.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.28 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' OG ' ' B' ' 84' ' ' SER . 56.9 m-85 -78.92 -31.56 45.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.062 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' B' ' 87' ' ' HIS . 2.2 m-70 -58.73 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.919 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' B' ' 90' ' ' SER . 5.8 tt0 32.82 -146.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.226 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.6 tp 62.6 -27.31 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.355 0.502 . . . . 1.0 112.355 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.574 ' H ' ' C ' ' B' ' 88' ' ' GLU . 11.7 m -52.98 -1.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.856 0.317 . . . . 1.0 111.856 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.24 172.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -90.02 -24.61 21.16 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.47 44.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.86 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -69.18 -28.35 66.33 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.89 0.376 . . . . 1.0 111.122 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 80.4 m-20 -44.22 -41.5 5.87 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.401 -0.52 . . . . 1.0 110.846 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' C' ' 30' ' ' ALA . 6.2 mtp -82.16 -50.29 9.2 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.844 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.459 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -61.31 -46.47 94.37 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 120.768 -0.73 . . . . 1.0 111.392 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -49.45 -30.94 8.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.805 0.336 . . . . 1.0 111.146 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.79 -53.18 4.12 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.505 -0.554 . . . . 1.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.38 -21.92 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.828 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.697 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.3 p -72.08 -62.36 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 120.827 -0.349 . . . . 1.0 111.565 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.697 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.6 tp -53.09 -44.5 67.63 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.874 0.845 . . . . 1.0 109.539 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 107' ' ' VAL . 28.2 mm -75.08 -22.46 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.421 -0.808 . . . . 1.0 111.178 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -38.16 -48.96 1.31 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.117 0.484 . . . . 1.0 110.733 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 2.7 pt -69.54 -40.75 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.427 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' B' ' 103' ' ' ILE . 89.8 mt -70.69 -34.79 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 120.239 -0.584 . . . . 1.0 112.285 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.917 HG13 ' H ' ' B' ' 108' ' ' ALA . 9.3 p -82.86 -71.17 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.242 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.917 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -38.74 -28.73 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.586 0.231 . . . . 1.0 111.461 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' B' ' 105' ' ' ILE . 86.5 t -85.96 -80.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 1.0 110.605 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 46.5 mt -48.72 -24.8 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.142 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 48.9 m -59.4 -53.71 55.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 1.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -54.26 -22.41 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.367 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 t -63.38 -57.62 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.395 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.652 HD12 ' H ' ' B' ' 114' ' ' ILE . 1.8 mp -64.99 -46.66 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.37 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 45.2 mt -56.0 -33.84 65.24 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.138 -0.689 . . . . 1.0 109.138 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 62.6 tp -71.44 -45.98 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.602 -0.726 . . . . 1.0 109.465 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 53.3 t-105 -51.19 -21.06 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.17 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.97 -26.38 65.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.336 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -63.55 -5.75 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.514 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 70.9 t80 -79.03 -98.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.514 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 117.973 -1.46 . . . . 1.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.384 -0.598 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -168.29 94.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.11 163.59 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 14.2 m -163.77 141.64 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.627 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.4 p -153.03 -37.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.45 42.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -51.14 -29.89 14.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.398 . . . . 1.0 110.61 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -66.13 -36.66 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.559 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 72.5 ttt180 -57.46 -37.87 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.351 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.69 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.9 mp -66.78 -46.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.853 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.06 -49.23 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.128 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -66.02 -37.01 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.398 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.531 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -63.94 -39.47 94.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.707 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -14.32 60.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' C' ' 17' ' ' SER . . . -92.16 -15.88 52.34 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 13' ' ' ALA . 48.7 m-85 40.31 22.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.804 0.335 . . . . 1.0 110.97 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 15' ' ' GLY . 35.8 p -77.39 -39.76 46.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -58.11 -42.42 85.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.569 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -62.3 -42.55 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.62 -22.4 77.95 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.12 -25.79 63.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 1.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -63.15 -50.4 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.476 ' O ' HG23 ' C' ' 26' ' ' ILE . . . -64.08 -44.8 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.34 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' C' ' 26' ' ' ILE . . . -51.78 -29.12 17.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.477 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.402 ' C ' ' N ' ' C' ' 27' ' ' ASN . 5.5 t-105 -71.03 35.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.533 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' C' ' 24' ' ' ALA . 14.5 pt -55.31 -11.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.1 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' C' ' 28' ' ' GLU . 16.2 p-10 -60.21 -61.04 2.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.442 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' C' ' 30' ' ' ALA . 66.4 mt-10 -107.08 -44.9 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.744 0.307 . . . . 1.0 110.7 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' C' ' 30' ' ' ALA . . . -57.99 -3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.769 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.509 ' O ' ' SD ' ' B' ' 96' ' ' MET . . . -32.91 -39.31 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.611 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.61 -35.61 11.0 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.266 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -63.22 -41.64 99.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.044 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.04 -63.27 1.36 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.575 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.465 ' O ' HG23 ' C' ' 38' ' ' VAL . 30.5 tt0 -44.49 -36.26 2.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.991 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.72 7.9 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 109.381 -1.488 . . . . 1.0 109.381 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.73 -34.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.34 -6.38 9.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.283 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 64' ' ' LEU . 23.5 t -103.37 -24.7 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.365 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.572 HD12 ' N ' ' C' ' 39' ' ' LEU . 9.3 mp -92.04 -48.54 6.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.087 0.47 . . . . 1.0 110.613 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.85 -41.92 77.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.067 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.46 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' C' ' 43' ' ' VAL . 10.6 m -96.56 -37.65 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 39' ' ' LEU . 25.6 t -57.9 -48.71 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.575 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.474 ' CG1' ' N ' ' C' ' 45' ' ' ALA . 4.4 pt -72.84 -47.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.255 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' C' ' 44' ' ' ILE . . . -58.92 -34.73 72.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.53 -46.57 59.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -52.68 -44.95 66.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.367 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.28 -144.6 0.26 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ALA . 45.7 p-10 -84.46 -160.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -98.85 -151.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.591 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -133.33 152.92 51.95 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.98 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.62 -59.87 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.825 HD11 HG21 ' B' ' 56' ' ' VAL . 9.6 tp -173.48 -31.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.548 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -49.98 -35.08 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.743 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -78.86 -48.05 15.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 1.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 53' ' ' ILE . 94.9 t -63.29 -45.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.606 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.513 HD23 ' O ' ' C' ' 57' ' ' LEU . 1.1 tt -48.57 -50.49 32.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.998 0.428 . . . . 1.0 109.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 79.5 mt -46.8 -41.85 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.693 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.29 -50.0 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -51.23 -55.77 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.707 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 42.2 t -63.96 -63.01 1.27 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.043 0.449 . . . . 1.0 110.494 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 45.0 t -51.44 -31.97 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.877 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttm -58.88 -30.95 68.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.372 -0.531 . . . . 1.0 109.951 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' B' ' 38' ' ' VAL . 37.3 mt -63.95 -45.04 90.93 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.19 -33.76 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.938 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' C' ' 70' ' ' ILE . 31.0 mtt -62.47 -49.82 73.87 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.325 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -44.41 -30.21 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.643 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.42 -28.64 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.761 0.315 . . . . 1.0 111.601 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -95.35 -57.22 2.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.751 0.31 . . . . 1.0 111.031 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 66' ' ' MET . 44.7 mm -62.41 -60.29 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.22 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.43 -36.6 44.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.242 -0.583 . . . . 1.0 109.982 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.49 -11.11 60.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.2 p -89.72 -54.24 4.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.931 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' C' ' 73' ' ' SER . . . -59.47 -52.06 67.21 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.53 -0.759 . . . . 1.0 109.575 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.48 HG23 ' N ' ' C' ' 76' ' ' GLU . 10.7 tp -50.42 -46.1 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.18 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.48 ' N ' HG23 ' C' ' 75' ' ' ILE . 15.1 tt0 -79.82 -23.61 41.94 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.888 -0.325 . . . . 1.0 111.043 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' C' ' 82' ' ' ILE . . . -58.11 -54.79 42.93 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.733 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.99 -31.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.52 -33.72 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.202 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 76' ' ' GLU . 84.4 m-20 -83.0 -108.18 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.444 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' C' ' 83' ' ' GLY . 73.7 mtp180 -104.6 6.14 34.28 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.359 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 77' ' ' ALA . 5.7 mt 67.13 -28.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' C' ' 81' ' ' ARG . . . 105.87 1.72 39.51 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.419 ' OG ' ' CE2' ' C' ' 86' ' ' TYR . 4.3 t 65.44 59.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.71 0.29 . . . . 1.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -85.08 88.25 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . 0.419 ' CE2' ' OG ' ' C' ' 84' ' ' SER . 56.9 m-85 -78.94 -31.59 45.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' C' ' 87' ' ' HIS . 2.2 m-70 -58.69 -63.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.584 ' C ' ' H ' ' C' ' 90' ' ' SER . 5.8 tt0 32.82 -146.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.231 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.6 tp 62.63 -27.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.584 ' H ' ' C ' ' C' ' 88' ' ' GLU . 12.4 m -52.88 -1.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.849 0.314 . . . . 1.0 111.849 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.26 172.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.535 -1.026 . . . . 1.0 110.535 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -89.97 -24.49 21.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.3 0.571 . . . . 1.0 109.465 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.69 -52.55 43.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.812 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' C' ' 98' ' ' SER . 31.8 mttt -69.16 -28.39 66.38 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.847 0.356 . . . . 1.0 111.029 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 80.6 m-20 -44.17 -41.54 5.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.848 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 30' ' ' ALA . 6.1 mtp -82.09 -50.39 9.11 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.895 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.462 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -61.18 -46.63 94.1 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . 0.402 ' N ' ' O ' ' C' ' 94' ' ' LYS . 66.4 m -49.32 -31.11 8.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.813 0.339 . . . . 1.0 111.041 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.77 -53.14 4.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.4 -21.94 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.851 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.2 p -72.15 -62.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 120.761 -0.376 . . . . 1.0 111.505 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 9.4 tp -52.94 -44.75 67.29 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.857 0.836 . . . . 1.0 109.457 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.463 ' O ' HG12 ' C' ' 107' ' ' VAL . 28.2 mm -75.11 -22.33 16.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -38.19 -48.95 1.32 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.123 0.487 . . . . 1.0 110.721 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 2.7 pt -69.64 -40.73 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.31 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' C' ' 103' ' ' ILE . 89.5 mt -70.68 -34.75 58.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.318 -0.553 . . . . 1.0 112.296 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.889 HG13 ' H ' ' C' ' 108' ' ' ALA . 9.3 p -82.86 -71.18 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.889 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -38.82 -28.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.673 0.273 . . . . 1.0 111.516 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' C' ' 105' ' ' ILE . 86.5 t -86.05 -80.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.626 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 47.0 mt -48.72 -24.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.118 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 49.4 m -59.46 -53.68 55.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 1.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -54.24 -22.44 11.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.338 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.5 -57.44 10.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.6 . . . . 1.0 111.393 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.675 HD12 ' H ' ' C' ' 114' ' ' ILE . 1.8 mp -65.23 -46.55 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.29 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.97 -33.82 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 62.5 tp -71.46 -46.0 61.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.528 -0.76 . . . . 1.0 109.488 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -51.1 -21.08 1.7 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.281 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -59.98 -26.42 66.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.285 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -63.47 -5.88 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 70.8 t80 -78.98 -98.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.496 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.509 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.004 -1.442 . . . . 1.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -62.69 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 1' ' ' ALA . 54.2 t-20 -75.75 -52.5 10.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -66.63 -129.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 m -159.58 -37.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.71 56.46 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' CD2' ' N ' ' A' ' 8' ' ' THR . 54.1 p90 -75.07 -44.27 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 1.0 110.481 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.535 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 13.9 m -53.12 -36.6 60.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.453 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 91.8 mtt-85 -59.06 -38.47 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.322 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.91 -48.1 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.0 mm -64.6 -48.02 86.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.076 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.74 -36.47 83.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.29 -40.48 94.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.01 68.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.521 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 17' ' ' SER . . . 83.43 68.63 1.41 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.94 13.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.882 -0.414 . . . . 1.0 109.882 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 15' ' ' GLY . 34.9 t -56.47 -43.12 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.633 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -63.84 -46.05 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.01 -41.4 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.24 -17.27 65.83 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.88 -48.01 60.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.721 0.296 . . . . 1.0 110.428 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.6 -35.6 81.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.487 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.15 63.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.61 -46.3 86.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.615 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 30' ' ' ALA . 38.7 m0 -44.24 -41.24 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.675 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.715 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.9 mp -80.1 -29.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.151 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -108.3 41.66 1.52 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.211 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -176.68 -90.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.099 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' ALA . . . -68.87 4.44 1.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.382 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TRP . . . -36.36 -34.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.567 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 52.1 p90 -94.32 -41.35 9.48 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.028 0.442 . . . . 1.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 57.8 ttt-85 -64.81 -26.49 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.02 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.0 -61.27 2.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.745 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.26 -30.3 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.471 -0.786 . . . . 1.0 111.463 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' HG22 ' A' ' 38' ' ' VAL . . . -89.57 -59.18 1.55 Allowed Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.002 -0.618 . . . . 1.0 112.118 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 32' ' ' ARG . 5.4 p -47.09 -33.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.171 -0.606 . . . . 1.0 110.541 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -56.57 -58.84 6.32 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.06 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 35' ' ' GLY . 1.4 m -39.02 -20.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.944 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.56 -54.36 4.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' ALA . 20.1 mt -58.02 -34.78 70.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.027 -0.988 . . . . 1.0 110.062 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.56 61.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.799 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' VAL . 32.8 t -85.89 -44.14 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.6 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 44' ' ' ILE . 15.6 m -57.76 -46.44 86.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.596 -0.441 . . . . 1.0 110.707 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.587 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.1 tp -73.82 -48.1 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.621 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -52.31 -34.31 46.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 1.0 110.344 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.18 -44.86 95.66 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.766 -0.457 . . . . 1.0 109.766 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.504 ' N ' ' CD1' ' A' ' 47' ' ' TRP . 6.4 m0 -73.54 -42.89 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 48' ' ' LEU . 3.7 mm? -84.74 171.43 12.32 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.129 -0.323 . . . . 1.0 110.129 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 -150.28 0.3 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.59 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 51' ' ' ASP . 9.3 t -146.93 159.96 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.188 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 52' ' ' ALA . 30.5 t0 -153.34 -139.29 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.517 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -60.1 -176.91 0.05 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -155.35 19.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.114 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -43.11 -28.57 0.3 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.013 0.435 . . . . 1.0 110.186 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 5.1 mmp_? -60.01 -40.5 89.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.542 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 53' ' ' ILE . 54.8 t -45.92 -31.99 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.213 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -60.64 -51.06 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.609 -0.437 . . . . 1.0 109.882 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -55.28 -49.08 73.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.989 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' MET . 85.5 mt -66.86 -55.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 1.0 109.92 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.23 -36.41 3.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.05 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -62.58 -59.85 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.43 -27.43 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.098 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ILE . 27.4 ttp -58.79 -40.32 83.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.94 -34.75 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG22 HG21 ' C' ' 38' ' ' VAL . 12.2 t -61.61 -32.05 52.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.966 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.9 mmm -54.43 -48.73 71.35 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -50.29 -27.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.814 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.63 -27.25 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.755 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.21 -52.84 3.54 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.775 0.321 . . . . 1.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 66' ' ' MET . 35.8 mm -63.81 -58.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' C' ' 74' ' ' ALA . 2.6 tp -52.54 -35.74 54.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.74 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.39 -9.8 59.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.118 0.485 . . . . 1.0 109.964 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 1.4 p -88.04 -49.71 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.474 -0.785 . . . . 1.0 110.161 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' B' ' 71' ' ' LEU . . . -58.33 -49.27 77.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.462 -0.79 . . . . 1.0 109.806 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.499 ' CG2' ' HB1' ' C' ' 74' ' ' ALA . 10.4 pt -66.64 -14.36 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.123 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -93.98 -34.68 12.95 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.86 -42.93 65.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.902 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 79' ' ' VAL . 20.0 m -83.28 -27.04 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.678 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.85 -106.9 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.012 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.45 -54.76 2.47 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.795 0.294 . . . . 1.0 111.795 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' H ' ' A' ' 83' ' ' GLY . 0.4 OUTLIER 64.84 138.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.846 0.355 . . . . 1.0 110.049 -178.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -96.44 -37.04 4.92 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 83' ' ' GLY . 60.2 p 53.86 84.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 1.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -52.89 164.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -83.54 -14.99 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.729 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.29 -10.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.911 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.76 102.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 91' ' ' GLY . 8.1 tp -174.81 -49.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.693 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.62 30.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.183 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.63 170.09 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' SD ' ' A' ' 96' ' ' MET . 35.3 ptt85 -86.46 -23.28 26.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.984 0.421 . . . . 1.0 110.179 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.5 72.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.29 -28.18 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.921 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.87 -40.56 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 1.0 110.649 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.561 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.1 mpt? -70.21 -44.33 68.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.943 -0.392 . . . . 1.0 109.943 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -64.61 -34.33 89.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.2 p -49.86 -32.3 14.07 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.933 0.397 . . . . 1.0 111.208 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' CB ' ' SD ' ' B' ' 66' ' ' MET . . . -95.03 -52.39 4.24 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -58.14 -24.17 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.328 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.8 p -68.44 -60.21 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.555 -0.458 . . . . 1.0 110.138 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' A' ' 101' ' ' VAL . 12.7 mt -52.21 -44.75 64.93 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.704 -0.798 . . . . 1.0 109.516 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 106' ' ' ILE . 31.5 mt -74.45 -24.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -41.82 -49.86 4.4 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.847 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.9 pt -62.64 -38.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.944 -0.762 . . . . 1.0 108.944 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 103' ' ' ILE . 22.4 mm -72.51 -30.59 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 120.589 -0.444 . . . . 1.0 110.913 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 109' ' ' VAL . 92.7 t -65.36 -77.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.067 0.461 . . . . 1.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.41 -24.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.468 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' VAL . 91.2 t -87.28 -84.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 1.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.43 ' H ' HG23 ' A' ' 110' ' ' ILE . 1.7 pp -47.46 -25.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.099 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.6 m -59.31 -52.81 64.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.888 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.89 -30.97 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.106 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.75 -59.07 5.72 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.258 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 115' ' ' LEU . 14.7 tt -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.952 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.453 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.7 tp -57.15 -49.99 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.488 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.196 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.66 -20.53 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.75 -24.69 66.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.735 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -62.65 -15.5 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.984 -179.324 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 92.5 t80 43.65 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.012 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.751 0 CA-C-O 117.996 -1.447 . . . . 1.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -62.68 77.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.566 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' B' ' 1' ' ' ALA . 54.0 t-20 -75.62 -52.63 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.572 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 60.0 p -66.54 -129.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.6 m -159.56 -37.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.76 56.47 0.02 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' B' ' 8' ' ' THR . 54.0 p90 -75.03 -44.3 48.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.831 0.348 . . . . 1.0 110.529 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.538 ' N ' ' CD2' ' B' ' 7' ' ' PHE . 13.3 m -52.96 -36.76 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.502 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 91.7 mtt-85 -59.04 -38.44 79.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.347 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.85 -48.14 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.0 mm -64.57 -48.04 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.138 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.77 -36.36 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.493 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.3 -40.49 94.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.496 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.54 -35.84 68.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.466 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' B' ' 17' ' ' SER . . . 83.34 68.73 1.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.02 13.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 15' ' ' GLY . 35.2 t -56.51 -42.87 79.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -64.05 -46.01 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.05 -41.5 86.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -17.19 65.68 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tp -69.95 -47.87 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.737 0.303 . . . . 1.0 110.448 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -64.8 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.467 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.23 63.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.57 -46.43 85.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' B' ' 30' ' ' ALA . 38.6 m0 -44.11 -41.2 5.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.696 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.718 ' N ' HD12 ' B' ' 26' ' ' ILE . 1.9 mp -80.21 -28.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.185 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' B' ' 24' ' ' ALA . 0.8 OUTLIER -108.24 41.54 1.54 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.206 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.63 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.857 0.361 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 4.45 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.192 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 25' ' ' TRP . . . -36.4 -34.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 1.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 52.0 p90 -94.36 -41.41 9.43 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.121 0.486 . . . . 1.0 110.574 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.569 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 57.8 ttt-85 -64.71 -26.48 68.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.059 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.01 -61.41 2.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.698 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.2 -30.28 49.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.441 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.637 ' O ' HG22 ' B' ' 38' ' ' VAL . . . -89.64 -59.18 1.55 Allowed Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.037 -0.602 . . . . 1.0 112.052 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.487 HG12 ' O ' ' B' ' 32' ' ' ARG . 5.4 p -47.0 -33.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 122.199 -0.589 . . . . 1.0 110.516 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -56.58 -58.95 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.637 HG22 ' O ' ' B' ' 35' ' ' GLY . 1.4 m -38.82 -20.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.926 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.67 -54.27 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 37' ' ' ALA . 20.2 mt -58.08 -34.8 70.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.135 -0.939 . . . . 1.0 109.998 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.69 -25.57 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 1.0 111.857 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 38' ' ' VAL . 33.3 t -85.83 -44.18 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 111.678 0.251 . . . . 1.0 111.678 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.458 HG23 ' N ' ' B' ' 44' ' ' ILE . 15.7 m -57.8 -46.3 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.758 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.596 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.1 tp -73.94 -48.03 40.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.58 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.596 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -52.39 -34.22 46.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.318 . . . . 1.0 110.382 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.5 t -62.28 -44.65 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.836 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' B' ' 47' ' ' TRP . 6.6 m0 -73.67 -42.93 60.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.484 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.542 ' N ' HD22 ' B' ' 48' ' ' LEU . 3.8 mm? -84.73 171.51 12.27 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 110.12 -0.326 . . . . 1.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.64 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 51' ' ' ASP . 9.2 t -146.88 159.97 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.277 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 52' ' ' ALA . 30.3 t0 -153.32 -139.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.484 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -60.18 -176.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.595 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -155.4 19.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.196 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -28.7 0.28 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.034 0.445 . . . . 1.0 110.183 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.422 ' N ' ' HE ' ' B' ' 55' ' ' ARG . 5.0 mmp_? -59.9 -40.64 89.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.576 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' B' ' 53' ' ' ILE . 54.6 t -45.86 -31.85 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.226 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.573 ' O ' HD13 ' B' ' 57' ' ' LEU . 1.0 OUTLIER -60.82 -50.95 71.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 109.874 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.484 ' O ' HD13 ' B' ' 58' ' ' LEU . 0.2 OUTLIER -55.43 -49.02 73.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.912 179.574 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.87 -55.48 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -45.32 -36.39 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.98 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.44 -59.92 4.29 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 -27.46 41.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.128 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ttp -58.69 -40.37 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.092 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.02 -34.76 63.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.478 HG22 HG21 ' A' ' 38' ' ' VAL . 12.0 t -61.44 -32.09 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.0 109.987 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 44.2 mmm -54.47 -48.68 71.51 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.36 -27.91 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.325 -0.55 . . . . 1.0 109.774 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.64 -27.21 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.863 0.319 . . . . 1.0 111.863 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -98.23 -52.77 3.56 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.713 0.292 . . . . 1.0 111.332 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' MET . 35.7 mm -63.75 -58.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.5 -0.555 . . . . 1.0 109.5 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 74' ' ' ALA . 2.6 tp -52.51 -35.75 53.78 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.287 -0.565 . . . . 1.0 109.69 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.4 -9.79 59.06 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 121.183 0.516 . . . . 1.0 110.002 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.43 ' O ' ' N ' ' B' ' 77' ' ' ALA . 1.4 p -88.06 -49.63 6.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.22 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' C' ' 71' ' ' LEU . . . -58.29 -49.45 77.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.381 -0.827 . . . . 1.0 109.752 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.497 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 10.6 pt -66.53 -14.39 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.142 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.01 -34.7 12.93 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.57 -50.0 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.83 -42.96 65.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.964 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.403 ' H ' HG22 ' B' ' 79' ' ' VAL . 19.7 m -83.35 -26.9 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.683 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.86 -106.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -104.44 -54.8 2.46 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.405 HD11 HD12 ' C' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.056 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.38 -37.2 4.89 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p 53.89 84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.765 0.317 . . . . 1.0 110.584 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.83 164.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.04 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -83.64 -14.91 50.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.652 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -55.23 -10.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.957 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.72 102.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.193 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' B' ' 91' ' ' GLY . 8.0 tp -174.7 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.61 30.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.171 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.6 170.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.473 ' O ' ' SD ' ' B' ' 96' ' ' MET . 35.2 ptt85 -86.53 -23.12 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.015 0.436 . . . . 1.0 110.192 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.45 72.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.482 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -66.28 -28.21 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.93 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.81 -40.59 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 1.0 110.747 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.559 ' SD ' ' N ' ' B' ' 96' ' ' MET . 1.1 mpt? -70.18 -44.37 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.403 . . . . 1.0 109.982 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.515 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -64.64 -34.28 89.47 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.3 p -49.92 -32.25 14.26 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.898 0.38 . . . . 1.0 111.176 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.418 ' CB ' ' SD ' ' C' ' 66' ' ' MET . . . -94.99 -52.38 4.26 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -58.28 -24.03 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.31 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.705 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.8 p -68.49 -60.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.188 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.705 ' N ' HG13 ' B' ' 101' ' ' VAL . 13.7 mt -52.11 -44.92 64.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.76 -0.776 . . . . 1.0 109.405 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 106' ' ' ILE . 31.4 mt -74.47 -24.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.158 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -41.83 -49.88 4.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.816 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.462 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -62.59 -38.1 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.002 -0.74 . . . . 1.0 109.002 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' B' ' 103' ' ' ILE . 22.4 mm -72.42 -30.67 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.926 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' B' ' 109' ' ' VAL . 93.4 t -65.36 -77.13 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.994 0.426 . . . . 1.0 110.492 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.43 -24.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 91.9 t -87.24 -84.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 1.0 110.744 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.44 -25.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.041 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 59.9 m -59.28 -52.82 64.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.864 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.88 -30.87 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.158 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.8 -59.06 5.71 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.3 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.443 HG23 ' N ' ' B' ' 115' ' ' LEU . 14.7 tt -64.67 -40.26 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.987 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 114' ' ' ILE . 9.1 tp -57.39 -49.84 74.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.378 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 9.5 mp -71.57 -47.17 56.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.081 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.68 -20.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 1.0 110.682 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 20.2 t -66.71 -24.66 66.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.539 ' O ' ' N ' ' B' ' 121' ' ' GLY . 0.3 OUTLIER -62.71 -15.49 53.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.949 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 92.4 t80 43.66 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.955 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.986 -1.452 . . . . 1.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' C' ' 3' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -62.51 77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' C' ' 1' ' ' ALA . 54.0 t-20 -75.66 -52.51 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -66.64 -129.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -159.5 -37.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.74 56.56 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.537 ' CD2' ' N ' ' C' ' 8' ' ' THR . 54.1 p90 -75.1 -44.27 48.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 1.0 110.504 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.537 ' N ' ' CD2' ' C' ' 7' ' ' PHE . 13.4 m -53.0 -36.78 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.488 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 91.7 mtt-85 -59.07 -38.4 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.293 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -66.94 -48.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.312 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 mm -64.54 -48.06 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.067 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -65.76 -36.5 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.2 -40.64 94.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.476 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.91 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' C' ' 17' ' ' SER . . . 83.42 68.72 1.41 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.03 13.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.4 ' H ' ' C ' ' C' ' 15' ' ' GLY . 34.8 t -56.32 -43.17 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -63.89 -46.11 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.542 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -66.92 -41.58 86.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.595 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.17 -17.31 65.72 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.85 -47.94 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.715 0.293 . . . . 1.0 110.414 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.73 -35.47 81.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.455 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -28.18 63.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.565 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -63.68 -46.27 86.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.556 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' C' ' 30' ' ' ALA . 38.6 m0 -44.22 -41.15 5.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.685 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.716 ' N ' HD12 ' C' ' 26' ' ' ILE . 1.9 mp -80.18 -28.96 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.13 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' C' ' 24' ' ' ALA . 0.8 OUTLIER -108.4 41.58 1.54 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.138 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -176.62 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.075 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.81 4.44 1.48 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.256 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' C' ' 25' ' ' TRP . . . -36.36 -34.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 1.0 111.607 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 52.1 p90 -94.38 -41.39 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.096 0.474 . . . . 1.0 110.602 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.572 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 57.9 ttt-85 -64.78 -26.53 68.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.559 -0.746 . . . . 1.0 109.993 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.97 -61.33 2.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.725 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -54.25 -30.25 49.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.508 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.641 ' O ' HG22 ' C' ' 38' ' ' VAL . . . -89.7 -59.12 1.54 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.064 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.477 HG12 ' O ' ' C' ' 32' ' ' ARG . 5.4 p -46.97 -33.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.216 -0.579 . . . . 1.0 110.571 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -56.55 -58.9 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.039 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.641 HG22 ' O ' ' C' ' 35' ' ' GLY . 1.4 m -38.91 -20.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.979 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.59 -54.33 4.46 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' C' ' 37' ' ' ALA . 20.3 mt -58.11 -34.77 70.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.098 -0.956 . . . . 1.0 109.945 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.53 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.765 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 38' ' ' VAL . 33.1 t -85.82 -44.23 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.65 0.241 . . . . 1.0 111.65 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.457 HG23 ' N ' ' C' ' 44' ' ' ILE . 15.7 m -57.73 -46.27 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.794 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.593 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.1 tp -73.96 -48.11 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.47 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.593 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -52.29 -34.33 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 1.0 110.397 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.26 -44.72 95.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.852 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . 0.537 ' CD1' ' N ' ' C' ' 47' ' ' TRP . 6.4 m0 -73.6 -42.84 61.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.604 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.543 HD22 ' N ' ' C' ' 48' ' ' LEU . 3.8 mm? -84.76 171.48 12.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.76 0.314 . . . . 1.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.58 -150.31 0.3 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . 0.414 HG12 ' N ' ' C' ' 51' ' ' ASP . 9.3 t -146.85 159.99 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' C' ' 52' ' ' ALA . 30.6 t0 -153.33 -139.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.584 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -60.14 -176.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.577 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.2 OUTLIER -155.36 19.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.167 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -28.58 0.3 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.119 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.427 ' HE ' ' N ' ' C' ' 55' ' ' ARG . 5.0 mmp_? -59.91 -40.53 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.634 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 53' ' ' ILE . 54.7 t -45.98 -31.88 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.246 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.574 ' O ' HD13 ' C' ' 57' ' ' LEU . 1.1 tm? -60.69 -51.02 71.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.067 0.461 . . . . 1.0 109.896 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 58' ' ' LEU . 0.2 OUTLIER -55.36 -49.05 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.953 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 85.9 mt -66.91 -55.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.942 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 28.3 t -45.29 -36.39 4.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.995 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 38.5 t -62.61 -59.74 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.49 -27.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.109 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 27.4 ttp -58.69 -40.42 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.89 -34.73 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.494 HG22 HG21 ' B' ' 38' ' ' VAL . 11.8 t -61.69 -31.98 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.019 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.512 ' O ' ' N ' ' C' ' 70' ' ' ILE . 44.3 mmm -54.47 -48.69 71.48 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 89.5 mt -50.35 -27.89 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.365 -0.534 . . . . 1.0 109.782 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -92.79 -27.09 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.792 0.294 . . . . 1.0 111.792 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -98.2 -52.85 3.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.726 0.298 . . . . 1.0 111.303 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' C' ' 66' ' ' MET . 35.9 mm -63.74 -58.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' B' ' 74' ' ' ALA . 2.6 tp -52.43 -35.73 52.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.151 -0.619 . . . . 1.0 109.757 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.36 -9.86 59.14 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.12 0.486 . . . . 1.0 110.008 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.448 ' O ' ' N ' ' C' ' 77' ' ' ALA . 1.4 p -88.03 -49.64 6.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.196 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -58.33 -49.39 77.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 1.0 109.817 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.503 ' CG2' ' HB1' ' B' ' 74' ' ' ALA . 10.5 pt -66.68 -14.27 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.08 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -94.05 -34.58 12.95 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.73 -50.0 72.81 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.428 -0.805 . . . . 1.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 91.8 t -54.8 -43.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.856 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.33 -26.99 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.675 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.76 -106.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -104.41 -54.81 2.46 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 111.808 0.299 . . . . 1.0 111.808 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.404 HD11 HD12 ' A' ' 75' ' ' ILE . 0.4 OUTLIER 64.85 138.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.894 0.378 . . . . 1.0 110.056 -178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -96.36 -37.03 4.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p 53.86 84.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.729 0.299 . . . . 1.0 110.521 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -52.85 164.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.046 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -83.65 -14.86 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.685 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -55.34 -10.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.947 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.78 102.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.859 -0.337 . . . . 1.0 110.121 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' C' ' 91' ' ' GLY . 8.1 tp -174.74 -48.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.78 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -71.67 30.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.184 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.66 170.13 0.05 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.459 ' O ' ' SD ' ' C' ' 96' ' ' MET . 35.3 ptt85 -86.52 -23.2 25.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 110.172 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.32 72.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.467 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -66.33 -28.26 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -42.78 -40.55 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 1.0 110.713 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.1 mpt? -70.3 -44.38 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.525 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -64.57 -34.3 89.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.1 p -49.9 -32.28 14.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 1.0 111.22 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 66' ' ' MET . . . -94.98 -52.32 4.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -58.28 -24.14 58.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.256 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.702 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.9 p -68.44 -60.18 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.165 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.702 ' N ' HG13 ' C' ' 101' ' ' VAL . 12.6 mt -52.17 -44.8 64.81 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.685 -0.806 . . . . 1.0 109.464 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' C' ' 106' ' ' ILE . 31.6 mt -74.44 -24.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.167 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -41.73 -49.93 4.27 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.854 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.458 ' O ' HG23 ' C' ' 109' ' ' VAL . 2.9 pt -62.62 -38.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' C' ' 103' ' ' ILE . 22.4 mm -72.55 -30.55 34.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.514 -0.474 . . . . 1.0 110.909 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' C' ' 109' ' ' VAL . 93.5 t -65.37 -77.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.03 0.443 . . . . 1.0 110.466 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.54 -23.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.488 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' C' ' 107' ' ' VAL . 91.3 t -87.27 -84.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 pp -47.54 -25.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.12 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -59.33 -52.89 63.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.831 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -72.74 -31.01 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.144 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 27.0 m -61.8 -58.98 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.461 -0.496 . . . . 1.0 111.24 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.459 HG23 ' N ' ' C' ' 115' ' ' LEU . 14.8 tt -64.78 -40.27 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.859 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.459 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.8 tp -57.17 -50.0 74.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.427 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 9.5 mp -71.54 -47.16 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.099 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -49.74 -20.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.979 0.419 . . . . 1.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 20.0 t -66.67 -24.7 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.8 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' C' ' 121' ' ' GLY . 0.3 OUTLIER -62.65 -15.55 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.949 -179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 92.4 t80 43.67 -88.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.951 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -60.64 -18.85 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 5' ' ' THR . 27.3 m120 -63.94 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 5' ' ' THR . 68.1 p 50.15 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.706 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' ASN . 53.4 p -152.31 -44.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.59 15.21 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CE2' ' OG1' ' A' ' 5' ' ' THR . 82.6 m-85 -57.84 -34.71 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 1.0 110.538 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -60.78 -37.28 81.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.657 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 84.0 mtt-85 -65.09 -38.08 89.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 10' ' ' ILE . 23.3 mt -66.23 -50.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.76 -49.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.038 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.99 -43.63 87.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.358 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 9' ' ' ARG . . . -60.73 -31.22 70.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -14.68 60.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.751 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -42.96 97.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.12 22.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 1.0 110.558 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -53.97 -43.17 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.715 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -60.97 -45.06 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -67.26 -37.22 83.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.625 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.87 -7.94 56.63 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -77.29 -49.94 13.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 1.0 110.23 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.77 -38.15 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.491 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.05 69.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.5 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.3 73.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.777 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.49 -61.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.768 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.23 -13.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.85 -63.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.883 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 30' ' ' ALA . 88.7 mt-10 -139.0 -41.4 0.47 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -62.29 1.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 1.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -44.0 -21.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.705 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.586 ' CD1' ' SD ' ' C' ' 96' ' ' MET . 53.4 m-85 -72.2 -49.95 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.362 0.601 . . . . 1.0 109.518 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.38 -32.12 73.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.14 -65.46 0.66 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.4 mt-10 -40.7 -32.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.895 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.67 7.73 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -49.5 -37.29 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -8.92 27.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.219 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG22 HD22 ' B' ' 64' ' ' LEU . 59.6 t -94.38 -23.0 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.635 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.4 mp -90.2 -62.51 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.064 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.2 mp -49.24 -41.93 39.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.85 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.7 -35.72 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.583 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' VAL . 89.6 t -76.38 -38.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.0 t -47.03 -43.3 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.484 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.97 -45.42 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.151 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -64.79 -54.12 36.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -62.08 -56.61 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.767 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.79 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' ALA . 29.4 mt -102.07 -146.48 0.36 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.393 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.44 -150.17 0.46 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 50' ' ' VAL . 10.2 m -97.98 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.452 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' H ' HD11 ' B' ' 53' ' ' ILE . 17.4 t70 -161.75 -147.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.755 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 51' ' ' ASP . . . -83.23 -174.57 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.233 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' C' ' 51' ' ' ASP . 36.6 pt -64.51 -28.76 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.74 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ILE . 67.8 p -35.52 -28.63 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.932 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.608 HH21 HD12 ' B' ' 57' ' ' LEU . 27.5 ttp85 -79.47 -49.26 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.361 0.6 . . . . 1.0 110.162 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 53' ' ' ILE . 2.5 t -72.02 -36.01 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.934 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.597 HD12 HH21 ' C' ' 55' ' ' ARG . 5.2 tp -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.7 tp -48.2 -44.78 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.837 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' B' ' 64' ' ' LEU . 49.3 mt -76.94 -47.18 28.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.341 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 61' ' ' SER . 6.1 p -46.8 -55.71 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.714 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' OG ' ' A' ' 60' ' ' SER . 38.8 p -63.53 -56.5 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.407 . . . . 1.0 110.362 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' LEU . 54.7 t -50.73 -37.62 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.158 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 63' ' ' MET . 15.7 tmm? -68.79 -44.52 73.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.765 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 HG22 ' C' ' 38' ' ' VAL . 9.5 mt -55.91 -51.86 66.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.724 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 p -63.09 -30.91 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.33 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.496 ' HB2' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.8 -39.5 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.079 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.48 -39.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -87.58 -33.61 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.971 -0.292 . . . . 1.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.5 mt-10 -88.63 -81.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.6 -0.44 . . . . 1.0 110.457 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 66' ' ' MET . 13.6 mt -38.6 -51.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.102 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.2 tp -50.3 -37.11 34.8 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 119.39 -0.924 . . . . 1.0 109.792 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.8 t-20 -79.58 -13.97 59.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.181 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.7 t -90.09 -56.11 3.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.476 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.758 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 71' ' ' LEU . 7.1 tt -50.95 -37.0 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.704 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -86.17 -23.99 26.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.364 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.07 -53.13 61.74 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.423 -0.511 . . . . 1.0 109.708 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.01 -33.3 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.54 -24.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.826 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -80.47 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.496 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 82' ' ' ILE . 76.0 mtt85 -104.02 -58.96 1.8 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.405 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER 164.85 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.749 0.656 . . . . 1.0 109.575 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.497 ' H ' ' CG1' ' A' ' 82' ' ' ILE . . . 110.84 6.35 26.56 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 114.937 -1.029 . . . . 1.0 110.588 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.527 ' OG ' ' CG ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -152.61 91.81 1.61 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' TYR . 10.6 pt-20 -92.81 -43.91 8.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.869 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 55.9 m-85 -86.1 -25.32 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.814 0.34 . . . . 1.0 111.296 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.527 ' CG ' ' OG ' ' A' ' 84' ' ' SER . 55.2 m80 -55.87 -62.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.527 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.71 92.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.681 0.277 . . . . 1.0 111.006 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -172.0 -53.46 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.688 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 91' ' ' GLY . 13.9 t -69.31 23.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.44 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 52.87 171.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 110.78 -0.928 . . . . 1.0 110.78 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -89.63 -19.69 24.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.6 -51.59 58.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.778 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.92 69.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.306 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' OG ' ' A' ' 98' ' ' SER . 50.9 m-20 -47.36 -35.09 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.554 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' B' ' 31' ' ' PHE . 23.8 mtt -78.85 -46.67 18.14 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.442 -0.503 . . . . 1.0 110.181 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.07 -35.71 92.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.325 -1.11 . . . . 1.0 110.325 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' ASP . 23.4 p -54.52 -26.87 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.611 0.243 . . . . 1.0 111.281 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.97 -51.13 5.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.576 -0.527 . . . . 1.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.07 -21.95 65.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.983 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.5 t -67.43 -65.97 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.798 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.24 -46.42 72.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.665 0.745 . . . . 1.0 109.718 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.4 mp -67.44 -20.23 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 1.0 110.233 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -45.41 -49.66 13.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.762 0.315 . . . . 1.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 1.0 110.004 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.31 -29.95 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.024 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 109' ' ' VAL . 87.5 t -67.47 -73.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.62 -24.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.412 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 107' ' ' VAL . 86.0 t -92.98 -87.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 1.0 110.476 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.11 -35.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.307 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 12.0 m -59.68 -53.52 57.01 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.485 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 112' ' ' TRP . 15.2 t-105 -57.55 -28.21 63.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.449 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.79 -57.53 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' H ' ' A' ' 114' ' ' ILE . 1.9 tp -65.78 -46.74 88.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.443 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.88 -36.76 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.03 -49.08 39.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.744 . . . . 1.0 110.369 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -63.89 -34.29 77.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.413 ' OG ' HD12 ' B' ' 48' ' ' LEU . 6.8 t -59.22 -37.42 77.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.513 ' O ' ' N ' ' A' ' 121' ' ' GLY . 21.6 m170 -64.89 -44.26 90.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.631 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.36 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.643 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.986 -1.452 . . . . 1.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -60.51 -18.87 54.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' B' ' 5' ' ' THR . 27.3 m120 -63.96 -29.47 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 3' ' ' ASN . 67.7 p 50.23 -86.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 3' ' ' ASN . 52.5 p -152.35 -44.58 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.434 ' H ' ' H ' ' B' ' 7' ' ' PHE . . . 161.57 15.19 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.434 ' H ' ' H ' ' B' ' 6' ' ' GLY . 83.0 m-85 -57.81 -34.65 69.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 1.0 110.601 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -60.91 -37.22 81.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.573 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' B' ' 13' ' ' ALA . 83.8 mtt-85 -65.05 -38.16 89.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 23.4 mt -66.2 -50.15 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.394 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.85 -49.26 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.95 -43.71 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.33 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 9' ' ' ARG . . . -60.64 -31.25 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.593 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -14.72 60.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.677 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.42 -42.94 97.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.053 -0.819 . . . . 1.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -80.36 22.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 1.0 110.486 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -54.1 -42.92 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.737 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.1 m-90 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.644 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -67.39 -37.16 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.647 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.94 -7.87 56.85 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 21' ' ' LEU . 1.0 OUTLIER -77.3 -49.88 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 1.0 110.22 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.9 -38.02 73.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.528 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.24 73.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -67.41 -61.37 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.823 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.36 -13.18 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.83 -63.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.921 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 30' ' ' ALA . 88.5 mt-10 -139.0 -41.58 0.47 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.029 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -62.42 1.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 1.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -44.02 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.65 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 96' ' ' MET . 53.7 m-85 -72.14 -49.96 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.325 0.583 . . . . 1.0 109.474 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.43 -32.01 73.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.116 -0.947 . . . . 1.0 109.811 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.2 -65.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 38' ' ' VAL . 77.9 mt-10 -40.55 -32.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.021 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -55.59 7.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.49 -37.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.104 -0.332 . . . . 1.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -9.02 27.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.615 HG22 HD22 ' C' ' 64' ' ' LEU . 59.5 t -94.41 -22.84 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.731 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.577 HD12 ' N ' ' B' ' 39' ' ' LEU . 9.4 mp -90.24 -62.54 1.44 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.068 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.542 HD12 ' N ' ' B' ' 40' ' ' LEU . 9.2 mp -49.26 -41.94 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.84 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.7 76.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.612 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 38' ' ' VAL . 90.5 t -76.45 -38.55 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.8 t -46.98 -43.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.508 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mm -62.93 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.979 0.419 . . . . 1.0 110.205 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -64.71 -54.27 34.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.94 -56.69 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.781 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -54.7 -53.71 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' B' ' 45' ' ' ALA . 29.6 mt -102.16 -146.56 0.36 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.329 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.34 -150.22 0.46 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 10.2 m -97.91 179.89 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.443 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' C' ' 53' ' ' ILE . 17.5 t70 -161.8 -147.27 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' B' ' 51' ' ' ASP . . . -83.16 -174.62 5.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.304 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.566 HD11 ' H ' ' A' ' 51' ' ' ASP . 36.9 pt -64.38 -28.83 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.776 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.418 ' C ' ' O ' ' B' ' 53' ' ' ILE . 69.6 p -35.47 -28.66 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.942 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.614 HH21 HD12 ' C' ' 57' ' ' LEU . 27.7 ttp85 -79.61 -49.13 12.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.095 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 53' ' ' ILE . 2.5 t -72.03 -36.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.902 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.608 HD12 HH21 ' A' ' 55' ' ' ARG . 5.1 tp -47.99 -47.69 32.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 62' ' ' VAL . 6.6 tp -48.21 -44.91 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.804 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' C' ' 64' ' ' LEU . 49.0 mt -76.85 -47.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' B' ' 61' ' ' SER . 6.0 p -46.84 -55.71 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.715 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' B' ' 60' ' ' SER . 39.0 p -63.53 -56.47 15.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 1.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 58' ' ' LEU . 54.6 t -50.7 -37.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' B' ' 63' ' ' MET . 15.7 tmm? -68.81 -44.45 73.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.769 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.612 HD22 HG22 ' A' ' 38' ' ' VAL . 9.4 mt -55.95 -51.94 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.682 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' OE2' ' B' ' 69' ' ' GLU . 6.4 p -63.03 -30.92 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.294 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.48 ' HB2' HD12 ' B' ' 70' ' ' ILE . 0.0 OUTLIER -62.74 -39.58 94.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.015 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.5 -39.64 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.45 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.65 -33.52 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.97 -0.292 . . . . 1.0 111.643 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 72' ' ' ASN . 31.6 mt-10 -88.79 -81.35 0.27 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.393 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' B' ' 73' ' ' SER . 13.6 mt -38.55 -51.45 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.058 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 75' ' ' ILE . 6.1 tp -50.18 -37.23 33.83 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 119.423 -0.911 . . . . 1.0 109.775 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.7 t-20 -79.57 -13.97 59.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.035 0.445 . . . . 1.0 110.21 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 70' ' ' ILE . 2.7 t -90.02 -56.05 3.38 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.742 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.411 HG22 ' O ' ' B' ' 71' ' ' LEU . 7.0 tt -51.0 -36.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.4 -0.818 . . . . 1.0 109.694 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.32 -23.9 26.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.368 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.08 -53.24 60.53 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.95 -33.33 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.842 -0.799 . . . . 1.0 108.842 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.5 -24.26 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.825 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -80.47 -110.04 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.412 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.893 ' O ' HG23 ' B' ' 82' ' ' ILE . 75.9 mtt85 -104.0 -58.97 1.8 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.359 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.893 HG23 ' O ' ' B' ' 81' ' ' ARG . 0.6 OUTLIER 164.8 -90.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 121.412 0.625 . . . . 1.0 109.589 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.484 ' H ' ' CG1' ' B' ' 82' ' ' ILE . . . 110.83 6.32 26.6 Favored Glycine 0 CA--C 1.528 0.856 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.657 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.532 ' HG ' ' CG ' ' B' ' 87' ' ' HIS . 0.2 OUTLIER -152.51 91.72 1.61 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.711 -0.477 . . . . 1.0 109.711 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' B' ' 86' ' ' TYR . 10.6 pt-20 -92.8 -43.79 8.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.909 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.436 ' N ' ' CG ' ' B' ' 85' ' ' GLU . 56.0 m-85 -86.12 -25.44 25.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.777 0.323 . . . . 1.0 111.256 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.532 ' CG ' ' HG ' ' B' ' 84' ' ' SER . 55.8 m80 -55.75 -62.22 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.486 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -39.75 92.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.762 0.315 . . . . 1.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' B' ' 91' ' ' GLY . 0.2 OUTLIER -171.98 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.745 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 91' ' ' GLY . 14.0 t -69.3 23.35 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.404 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 52.85 171.62 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.65 -19.67 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.069 0.462 . . . . 1.0 109.878 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -51.62 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.868 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.92 -29.93 69.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.212 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.439 ' O ' ' OG ' ' B' ' 98' ' ' SER . 51.3 m-20 -47.37 -35.1 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.527 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.583 ' SD ' ' CD1' ' C' ' 31' ' ' PHE . 24.3 mtt -78.79 -46.75 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.474 -0.491 . . . . 1.0 110.22 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.531 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.03 -35.71 92.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.273 -1.131 . . . . 1.0 110.273 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 95' ' ' ASP . 23.1 p -54.64 -26.9 35.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.52 0.2 . . . . 1.0 111.152 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.95 -51.04 5.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.643 -0.503 . . . . 1.0 109.643 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.0 65.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.5 t -67.41 -65.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 120.984 -0.286 . . . . 1.0 110.75 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.2 -46.48 72.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.674 0.749 . . . . 1.0 109.705 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.495 HD12 ' N ' ' B' ' 103' ' ' ILE . 1.4 mp -67.47 -20.28 26.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.155 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -45.42 -49.61 13.13 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.031 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.9 -42.43 94.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.994 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.2 -30.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.029 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 109' ' ' VAL . 87.3 t -67.4 -72.91 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.798 -0.445 . . . . 1.0 109.798 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.72 -24.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.597 -0.729 . . . . 1.0 111.477 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 107' ' ' VAL . 86.1 t -92.95 -87.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 1.0 110.525 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 mt -45.2 -35.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.288 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 11.8 m -59.65 -53.6 56.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . 0.436 ' O ' ' CD1' ' B' ' 112' ' ' TRP . 15.3 t-105 -57.52 -28.17 63.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.76 -57.62 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.075 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.69 -46.74 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.462 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.93 -36.78 70.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.864 -0.791 . . . . 1.0 108.864 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 24.1 tp -72.09 -48.98 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.359 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -64.0 -34.17 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . 0.411 ' OG ' HD12 ' C' ' 48' ' ' LEU . 6.9 t -59.26 -37.51 77.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.642 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' B' ' 121' ' ' GLY . 21.6 m170 -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.639 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.43 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 118.057 -1.413 . . . . 1.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -60.57 -18.9 55.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.595 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' C' ' 5' ' ' THR . 27.3 m120 -63.9 -29.51 70.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.518 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 3' ' ' ASN . 67.7 p 50.09 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.527 ' N ' ' O ' ' C' ' 3' ' ' ASN . 52.8 p -152.3 -44.57 0.1 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.44 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.52 15.22 0.03 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.405 ' CE2' ' OG1' ' C' ' 5' ' ' THR . 82.6 m-85 -57.9 -34.68 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 1.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -60.84 -37.2 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.653 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 84.1 mtt-85 -65.08 -38.14 89.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 23.9 mt -66.31 -50.01 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -58.86 -49.36 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.973 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -65.93 -43.74 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.313 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -60.64 -31.24 70.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.37 -14.76 60.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.706 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -43.01 97.38 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -80.2 22.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 1.0 110.597 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -53.91 -43.19 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.705 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -60.99 -44.99 96.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -67.4 -37.16 82.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.86 56.66 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.504 ' O ' HD23 ' C' ' 21' ' ' LEU . 1.0 OUTLIER -77.32 -49.92 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 1.0 110.24 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -70.85 -38.06 73.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.496 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.05 -28.12 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.576 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.7 -34.31 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.726 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -67.55 -61.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.719 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.33 -13.15 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.97 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.917 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' C' ' 30' ' ' ALA . 88.4 mt-10 -139.03 -41.39 0.47 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.873 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -62.31 1.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 1.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -44.0 -21.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.636 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.583 ' CD1' ' SD ' ' B' ' 96' ' ' MET . 53.2 m-85 -72.22 -50.01 30.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.372 0.606 . . . . 1.0 109.473 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -63.44 -32.01 73.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.062 -0.972 . . . . 1.0 109.827 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -59.19 -65.35 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.47 ' O ' HG23 ' C' ' 38' ' ' VAL . 77.8 mt-10 -40.79 -32.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.432 -0.804 . . . . 1.0 110.886 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.02 -55.67 7.77 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.302 -1.119 . . . . 1.0 110.302 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -49.4 -37.44 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.095 -0.335 . . . . 1.0 110.095 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.14 -8.99 27.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.205 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.611 HG22 HD22 ' A' ' 64' ' ' LEU . 59.2 t -94.39 -22.92 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.579 ' N ' HD12 ' C' ' 39' ' ' LEU . 9.4 mp -90.14 -62.76 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.073 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.524 ' N ' HD12 ' C' ' 40' ' ' LEU . 9.2 mp -48.94 -42.1 36.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.854 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.62 76.61 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.617 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 38' ' ' VAL . 91.0 t -76.4 -38.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.06 -43.2 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.448 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.92 -45.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 1.0 110.189 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -64.66 -54.29 34.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 50.9 t -62.02 -56.68 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.743 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -54.65 -53.7 51.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.506 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.411 HD12 ' OG ' ' B' ' 118' ' ' SER . 29.5 mt -102.27 -146.49 0.36 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.274 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -115.5 -150.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.526 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 m -97.91 -179.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.564 ' H ' HD11 ' A' ' 53' ' ' ILE . 17.3 t70 -161.88 -147.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' C' ' 51' ' ' ASP . . . -83.23 -174.57 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.311 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.564 HD11 ' H ' ' B' ' 51' ' ' ASP . 36.4 pt -64.44 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.685 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . 0.406 ' C ' ' O ' ' C' ' 53' ' ' ILE . 67.8 p -35.43 -28.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.9 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.597 HH21 HD12 ' A' ' 57' ' ' LEU . 27.7 ttp85 -79.46 -49.27 12.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.3 0.571 . . . . 1.0 110.176 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' C' ' 53' ' ' ILE . 2.5 t -71.93 -36.11 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.963 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.614 HD12 HH21 ' B' ' 55' ' ' ARG . 5.1 tp -47.89 -47.77 31.76 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.924 -0.399 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.487 ' O ' HG23 ' C' ' 62' ' ' VAL . 6.6 tp -48.05 -45.09 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.774 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 64' ' ' LEU . 48.8 mt -76.75 -47.31 28.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.407 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' C' ' 61' ' ' SER . 5.9 p -46.69 -55.69 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.745 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . 0.444 ' N ' ' OG ' ' C' ' 60' ' ' SER . 40.1 p -63.59 -56.4 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 1.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.487 HG23 ' O ' ' C' ' 58' ' ' LEU . 54.7 t -50.71 -37.77 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.104 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' C' ' 63' ' ' MET . 15.7 tmm? -68.66 -44.57 73.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.615 HD22 HG22 ' B' ' 38' ' ' VAL . 9.4 mt -55.83 -51.94 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.74 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.465 ' CG2' ' OE2' ' C' ' 69' ' ' GLU . 6.4 p -63.05 -30.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.39 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.488 ' HB2' HD12 ' C' ' 70' ' ' ILE . 0.0 OUTLIER -62.78 -39.5 94.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.116 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.38 -39.76 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 37.3 t -87.6 -33.52 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.673 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' C' ' 72' ' ' ASN . 31.5 mt-10 -88.72 -81.35 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.52 -0.472 . . . . 1.0 110.468 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' C' ' 66' ' ' MET . 13.5 mt -38.57 -51.42 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.992 -0.283 . . . . 1.0 111.08 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.418 ' O ' HG22 ' C' ' 75' ' ' ILE . 6.2 tp -50.3 -37.05 34.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 119.421 -0.912 . . . . 1.0 109.812 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.7 t-20 -79.66 -13.99 59.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.145 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.461 ' N ' ' O ' ' C' ' 70' ' ' ILE . 2.7 t -90.0 -56.13 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.553 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -51.72 68.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.418 HG22 ' O ' ' C' ' 71' ' ' LEU . 7.1 tt -50.87 -37.01 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.413 -0.812 . . . . 1.0 109.741 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -86.29 -23.84 26.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.402 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.1 -53.18 61.19 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.452 -0.499 . . . . 1.0 109.727 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.02 -33.25 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.894 -0.78 . . . . 1.0 108.894 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -24.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.834 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.48 -110.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.441 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.892 ' O ' HG23 ' C' ' 82' ' ' ILE . 75.9 mtt85 -103.91 -59.0 1.79 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.39 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.892 HG23 ' O ' ' C' ' 81' ' ' ARG . 0.6 OUTLIER 164.78 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.443 0.64 . . . . 1.0 109.627 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.487 ' H ' ' CG1' ' C' ' 82' ' ' ILE . . . 110.92 6.24 26.5 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.613 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.522 ' OG ' ' CG ' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -152.48 91.83 1.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' C' ' 86' ' ' TYR . 10.7 pt-20 -92.86 -43.87 8.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.904 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . 0.432 ' N ' ' CG ' ' C' ' 85' ' ' GLU . 56.0 m-85 -86.13 -25.3 25.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.78 0.324 . . . . 1.0 111.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.522 ' CG ' ' OG ' ' C' ' 84' ' ' SER . 55.3 m80 -55.85 -62.05 1.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.593 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -39.9 92.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 1.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' C' ' 91' ' ' GLY . 0.2 OUTLIER -171.97 -53.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.783 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.432 ' O ' ' O ' ' C' ' 91' ' ' GLY . 14.0 t -69.38 23.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.404 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 52.82 171.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.669 -0.973 . . . . 1.0 110.669 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -89.59 -19.7 24.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.164 0.507 . . . . 1.0 109.935 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.54 59.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.838 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -67.96 -29.97 69.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.222 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . 0.427 ' O ' ' OG ' ' C' ' 98' ' ' SER . 51.2 m-20 -47.23 -35.18 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.601 -178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD1' ' A' ' 31' ' ' PHE . 24.1 mtt -78.72 -46.8 18.18 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.197 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.535 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.93 -35.84 92.52 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 1.0 110.335 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' C' ' 95' ' ' ASP . 23.4 p -54.49 -26.88 34.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.548 0.213 . . . . 1.0 111.223 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.636 -0.505 . . . . 1.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.08 -22.04 65.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.982 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.535 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.6 t -67.33 -65.91 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.791 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.28 -46.42 72.71 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.638 0.732 . . . . 1.0 109.73 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.487 ' O ' HG23 ' C' ' 107' ' ' VAL . 1.4 mp -67.52 -20.06 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.398 -0.819 . . . . 1.0 110.254 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -45.63 -49.58 14.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.886 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.92 -42.43 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.0 109.942 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 25.6 mm -63.21 -30.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.995 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 109' ' ' VAL . 88.7 t -67.3 -73.13 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.53 -24.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.49 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' C' ' 107' ' ' VAL . 86.4 t -92.93 -87.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.818 0.342 . . . . 1.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 8.2 mt -45.13 -35.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.119 -0.492 . . . . 1.0 111.309 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 12.0 m -59.63 -53.57 56.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.581 -0.447 . . . . 1.0 110.504 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' C' ' 112' ' ' TRP . 15.4 t-105 -57.52 -28.23 63.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.8 -57.61 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.025 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.422 ' H ' HG22 ' C' ' 114' ' ' ILE . 1.9 tp -65.72 -46.76 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.422 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 7.8 mp -56.86 -36.79 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 24.3 tp -71.96 -49.13 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -63.91 -34.36 77.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.44 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.41 ' OG ' HD12 ' A' ' 48' ' ' LEU . 6.9 t -59.17 -37.49 77.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 1.0 110.674 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.521 ' O ' ' N ' ' C' ' 121' ' ' GLY . 21.6 m170 -64.83 -44.34 90.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.651 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 91.4 t80 51.47 -86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' C' ' 119' ' ' HIS . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 118.0 -1.445 . . . . 1.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -159.6 99.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' THR . 52.2 t-20 -169.32 137.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -169.14 79.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.526 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -165.94 -35.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.87 50.01 0.34 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' CD2' ' N ' ' A' ' 8' ' ' THR . 49.2 p90 -74.3 -45.6 46.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 1.0 110.69 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.493 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 7.7 m -51.81 -36.74 48.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.455 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 12.6 mmt85 -55.31 -37.36 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.94 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.78 -45.91 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.416 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.6 mp -66.5 -48.65 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' O ' ' CE2' ' A' ' 16' ' ' TYR . 23.8 mmtp -65.74 -37.96 87.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.424 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -60.66 -31.1 70.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -73.09 -14.45 61.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . -75.53 18.8 2.72 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' CE2' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-85 -144.72 11.78 1.44 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.844 0.354 . . . . 1.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -53.4 -43.1 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.668 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -53.51 -44.39 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.77 -40.83 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.17 -22.18 74.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.024 -0.83 . . . . 1.0 111.024 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.57 -45.26 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.897 0.38 . . . . 1.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -68.17 -37.13 80.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.64 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.53 64.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 25' ' ' TRP . 4.5 m0 -64.35 -56.47 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.581 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -57.89 -20.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.232 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -107.02 42.84 1.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 168.98 -72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.682 0.614 . . . . 1.0 109.591 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 4.74 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.01 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' OE2' ' A' ' 34' ' ' GLU . . . -38.96 -32.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.444 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 21.0 t80 -91.33 -46.09 8.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.942 0.401 . . . . 1.0 110.77 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.64 -25.38 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.029 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.4 tt0 -59.86 -59.03 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.371 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -95.01 -48.05 2.53 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.3 t -56.28 -40.49 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 122.749 -0.265 . . . . 1.0 111.112 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.15 -71.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 1.0 110.513 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 p -39.97 -18.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.712 -0.676 . . . . 1.0 111.087 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -87.3 -55.95 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.643 -0.873 . . . . 1.0 108.643 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.8 tp -66.82 -34.9 78.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.205 -0.907 . . . . 1.0 110.623 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.28 63.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.982 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 38' ' ' VAL . 37.3 t -89.25 -37.72 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.659 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.44 -47.88 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.79 -47.14 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -55.07 -36.59 65.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.6 m -62.68 -46.0 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.986 0.422 . . . . 1.0 110.01 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.68 -26.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.2 mt -139.68 -67.95 0.43 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 45' ' ' ALA . 15.1 t0 64.9 87.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.959 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -153.22 14.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.458 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -49.9 152.94 1.43 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.27 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.13 -65.34 1.02 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.352 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.617 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.3 m -46.46 -45.69 18.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.9 -47.39 71.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.58 -45.13 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.396 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.03 -50.66 35.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.377 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD12 ' CG2' ' C' ' 107' ' ' VAL . 3.5 mm? -51.17 -51.47 53.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' MET . 15.1 mm -63.12 -56.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.206 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.9 -52.54 23.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -64.85 -62.96 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.23 -30.43 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.975 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.412 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 24.7 ttm -63.37 -34.41 77.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.383 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.04 -48.15 69.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.025 0.441 . . . . 1.0 109.835 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.28 -33.77 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.397 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' GLU . 26.8 mtt -61.65 -45.42 94.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mm -45.1 -24.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.274 -0.571 . . . . 1.0 110.056 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.91 -31.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 1.0 110.732 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 66' ' ' MET . 27.6 mt-10 -93.44 -55.34 3.32 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.526 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 73' ' ' SER . 49.1 mt -65.71 -58.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.518 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -52.02 -35.68 47.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.094 -0.642 . . . . 1.0 109.708 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 2.1 t-20 -71.31 -13.83 62.01 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -90.64 -53.07 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.14 -0.936 . . . . 1.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.88 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.469 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.4 pp -52.72 -39.75 32.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.573 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 80' ' ' ASP . 18.5 tt0 -82.55 -24.51 33.98 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.313 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -57.75 -52.25 66.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 t -53.17 -32.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 t -85.83 -25.03 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.103 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' GLU . 63.9 m-20 -77.84 -102.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.441 0.534 . . . . 1.0 112.441 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 82' ' ' ILE . 82.2 mtt-85 -101.55 -10.1 20.41 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.128 0.418 . . . . 1.0 112.128 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.7 tt 34.62 98.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 121.002 0.43 . . . . 1.0 111.493 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.61 69.34 0.39 Allowed Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.1 m -166.9 30.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 1.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.48 -68.96 0.74 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.787 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -47.68 -32.36 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.739 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.64 -10.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -132.0 94.12 3.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.3 tp -106.27 -23.35 12.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.511 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.7 p -70.68 39.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.764 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.12 167.6 0.06 OUTLIER Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 96' ' ' MET . 28.6 ptt-85 -86.12 -21.71 27.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.077 0.465 . . . . 1.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.86 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 97' ' ' GLY . 68.4 tttt -66.77 -32.66 74.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -41.48 -36.72 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.834 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' A' ' 96' ' ' MET . 1.3 mpt? -73.53 -44.6 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.511 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.12 -37.3 93.97 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -50.12 -31.5 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.617 0.246 . . . . 1.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB2' ' OE2' ' B' ' 69' ' ' GLU . . . -94.76 -51.1 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.771 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -58.89 -24.35 62.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.789 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 102' ' ' LEU . 12.5 p -73.12 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.227 0.455 . . . . 1.0 112.227 -178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.3 tp -59.15 -44.14 92.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 1.0 111.09 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.01 -19.26 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.906 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -57.4 -41.2 79.85 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.256 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 109' ' ' VAL . 25.0 mt -62.12 -46.84 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.577 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.2 mp -75.87 -30.03 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.85 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 109' ' ' VAL . 45.3 t -83.24 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.637 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' ALA . . . -27.69 -36.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.435 0.459 . . . . 1.0 112.005 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.868 HG23 ' H ' ' A' ' 110' ' ' ILE . 30.3 m -81.11 -66.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.485 . . . . 1.0 109.795 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.868 ' H ' HG23 ' A' ' 109' ' ' VAL . 22.8 mt -51.35 -24.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 120.64 0.257 . . . . 1.0 110.321 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.448 ' O ' HD13 ' A' ' 115' ' ' LEU . 8.8 m -59.54 -53.85 53.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -68.29 -23.71 64.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.059 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.66 -58.31 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.219 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.3 mp -67.18 -41.18 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.816 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 111' ' ' THR . 5.7 mp -56.36 -36.06 68.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 9.3 tp -71.68 -40.16 69.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.97 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -53.22 -20.7 4.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.03 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 120' ' ' PHE . 3.2 m -62.22 -28.07 69.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.445 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.03 -0.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.68 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.512 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 76.8 t80 -52.79 166.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.539 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.512 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.982 -1.455 . . . . 1.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -159.65 99.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' B' ' 4' ' ' THR . 52.3 t-20 -169.25 137.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.603 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' B' ' 3' ' ' ASN . 0.1 OUTLIER -169.23 79.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.556 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -165.95 -35.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.51 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.91 50.12 0.34 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' B' ' 8' ' ' THR . 49.1 p90 -74.36 -45.56 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 1.0 110.681 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.497 ' N ' ' CD2' ' B' ' 7' ' ' PHE . 7.8 m -51.88 -36.63 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.453 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 12.6 mmt85 -55.44 -37.18 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.013 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.96 -45.8 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.321 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.617 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.6 mp -66.54 -48.6 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.527 ' O ' ' CE2' ' B' ' 16' ' ' TYR . 23.8 mmtp -65.77 -37.86 87.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -60.67 -31.15 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.979 0.419 . . . . 1.0 110.495 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -73.05 -14.53 61.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.635 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.518 ' O ' ' CD1' ' B' ' 16' ' ' TYR . . . -75.52 18.8 2.71 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.527 ' CE2' ' O ' ' B' ' 12' ' ' LYS . 7.1 m-85 -144.73 11.93 1.45 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.762 0.315 . . . . 1.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 55.1 p -53.61 -42.92 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.668 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -53.58 -44.41 69.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.618 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.72 -40.89 79.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.09 -22.22 74.12 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.79 -44.97 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.767 0.317 . . . . 1.0 110.572 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -68.37 -37.09 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.677 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.64 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.58 64.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.659 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.47 ' N ' ' CD1' ' B' ' 25' ' ' TRP . 4.5 m0 -64.39 -56.4 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.617 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.85 -20.82 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.24 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -107.01 42.9 1.22 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.361 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 168.97 -72.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.622 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.13 4.85 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.978 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.438 ' O ' ' OE2' ' B' ' 34' ' ' GLU . . . -38.95 -32.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 1.0 111.462 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' B' ' 31' ' ' PHE . 20.8 t80 -91.31 -46.16 8.2 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.706 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.42 67.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.033 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' B' ' 35' ' ' GLY . 55.4 tt0 -59.86 -58.99 6.19 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -41.29 -23.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -95.06 -48.06 2.51 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 75.8 t -56.39 -40.3 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.575 0.226 . . . . 1.0 111.136 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.17 -71.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 1.0 110.47 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 42' ' ' VAL . 4.4 p -39.8 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.175 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.0 tp -87.41 -55.8 3.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tp -66.82 -34.83 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.255 -0.884 . . . . 1.0 110.647 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.45 -24.24 62.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.956 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 38' ' ' VAL . 37.2 t -89.23 -37.62 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.683 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -55.48 -47.85 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.78 -47.16 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.466 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 49' ' ' ASP . . . -55.12 -36.51 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' B' ' 48' ' ' LEU . 68.6 m -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.941 0.4 . . . . 1.0 110.007 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -40.65 -26.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 46' ' ' CYS . 12.2 mt -139.69 -67.85 0.43 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 45' ' ' ALA . 14.9 t0 64.67 87.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.013 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -153.35 14.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -49.89 153.01 1.41 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.25 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.24 -65.21 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.385 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.91 -25.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.64 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 54.7 m -46.4 -45.79 18.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.85 -47.37 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.918 -0.401 . . . . 1.0 109.918 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -45.07 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 28.2 tp -48.97 -50.7 34.36 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.936 0.398 . . . . 1.0 110.397 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.521 HD12 ' CG2' ' A' ' 107' ' ' VAL . 3.5 mm? -51.11 -51.42 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 63' ' ' MET . 15.0 mm -63.21 -56.19 18.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.8 t -48.88 -52.56 23.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.74 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -65.06 -62.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.007 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.29 -30.34 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.915 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.437 ' N ' ' O ' ' B' ' 59' ' ' ILE . 24.7 ttm -63.55 -34.34 77.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.37 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.06 -48.12 69.23 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.25 -33.88 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.322 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.49 ' O ' ' N ' ' B' ' 69' ' ' GLU . 26.7 mtt -61.74 -45.35 94.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.8 mm -45.13 -24.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.394 -0.522 . . . . 1.0 109.923 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 12.0 t -90.92 -31.68 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.711 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 66' ' ' MET . 27.6 mt-10 -93.4 -55.22 3.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.567 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' B' ' 66' ' ' MET . 49.0 mt -65.88 -58.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.4 tp -52.19 -35.61 49.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.683 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' B' ' 72' ' ' ASN . 2.1 t-20 -71.33 -13.74 61.97 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.368 0.604 . . . . 1.0 109.496 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.467 ' O ' ' N ' ' B' ' 77' ' ' ALA . 3.5 t -90.76 -53.01 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.502 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.89 -51.81 66.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.534 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.506 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.4 pp -52.83 -39.64 32.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 119.766 -0.774 . . . . 1.0 109.553 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 80' ' ' ASP . 18.3 tt0 -82.53 -24.56 34.01 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.315 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -57.8 -52.21 66.4 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.401 HG23 ' H ' ' B' ' 78' ' ' VAL . 18.6 t -53.16 -32.23 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.681 -0.69 . . . . 1.0 109.299 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.87 -24.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.154 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' B' ' 76' ' ' GLU . 64.3 m-20 -78.0 -101.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.41 0.522 . . . . 1.0 112.41 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 82' ' ' ILE . 82.4 mtt-85 -101.57 -10.09 20.4 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.5 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 121.102 0.477 . . . . 1.0 111.557 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.53 69.25 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 39.7 m -166.91 30.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 1.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -89.57 -68.93 0.75 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.798 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -47.61 -32.37 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -56.59 -10.31 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.734 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -132.04 94.22 3.43 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.497 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' B' ' 91' ' ' GLY . 7.1 tp -106.05 -23.79 12.54 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.48 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -70.41 39.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.27 167.69 0.07 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' B' ' 96' ' ' MET . 28.6 ptt-85 -86.29 -21.7 27.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.036 0.446 . . . . 1.0 109.875 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.41 -50.9 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.629 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' B' ' 97' ' ' GLY . 68.5 tttt -66.73 -32.68 74.14 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.861 -0.335 . . . . 1.0 110.686 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -41.38 -36.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.932 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' B' ' 96' ' ' MET . 1.3 mpt? -73.57 -44.58 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.806 -0.442 . . . . 1.0 109.806 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.507 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.13 -37.4 94.07 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 59.7 m -50.04 -31.41 12.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.64 0.257 . . . . 1.0 111.59 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . 0.423 ' HB2' ' OE2' ' C' ' 69' ' ' GLU . . . -94.87 -51.14 4.82 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.787 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -59.04 -24.14 62.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.817 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' B' ' 102' ' ' LEU . 12.4 p -73.29 -60.24 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.995 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' B' ' 107' ' ' VAL . 1.9 pp -76.41 -19.33 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.0 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -57.31 -41.27 79.55 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.217 -0.593 . . . . 1.0 110.216 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 109' ' ' VAL . 24.4 mt -61.95 -47.12 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.582 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.515 HD12 ' H ' ' B' ' 106' ' ' ILE . 5.0 mp -75.64 -30.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.889 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 109' ' ' VAL . 44.9 t -83.18 -72.95 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.649 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -27.75 -36.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.498 0.499 . . . . 1.0 111.973 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.847 HG23 ' H ' ' B' ' 110' ' ' ILE . 30.2 m -81.22 -66.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.847 ' H ' HG23 ' B' ' 109' ' ' VAL . 23.0 mt -51.38 -24.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.698 0.285 . . . . 1.0 110.328 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.452 ' O ' HD13 ' B' ' 115' ' ' LEU . 8.5 m -59.5 -54.02 51.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.786 0.327 . . . . 1.0 110.73 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -68.29 -23.73 64.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.044 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -64.61 -58.26 6.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.241 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.3 mp -67.28 -41.18 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.764 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 111' ' ' THR . 5.7 mp -56.41 -35.99 68.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' B' ' 119' ' ' HIS . 9.4 tp -71.76 -40.09 69.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.909 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -53.29 -20.59 4.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.073 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 120' ' ' PHE . 3.2 m -62.36 -28.01 69.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.443 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' B' ' 116' ' ' LEU . 0.0 OUTLIER -63.91 -0.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.771 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.512 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 76.8 t80 -52.75 166.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.512 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.976 -1.458 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -159.63 98.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' C' ' 4' ' ' THR . 52.3 t-20 -169.35 137.57 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.558 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.422 ' N ' ' OD1' ' C' ' 3' ' ' ASN . 0.1 OUTLIER -169.14 79.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -165.95 -35.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.82 50.02 0.34 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.501 ' CD2' ' N ' ' C' ' 8' ' ' THR . 49.6 p90 -74.29 -45.63 46.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 1.0 110.666 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.501 ' N ' ' CD2' ' C' ' 7' ' ' PHE . 7.6 m -51.84 -36.63 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.474 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.422 ' O ' ' CB ' ' C' ' 13' ' ' ALA . 12.7 mmt85 -55.41 -37.32 67.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.93 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.9 -45.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.342 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . 0.642 HD12 ' N ' ' C' ' 11' ' ' ILE . 1.6 mp -66.6 -48.55 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . 0.516 ' O ' ' CE2' ' C' ' 16' ' ' TYR . 23.8 mmtp -65.75 -38.01 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.38 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' C' ' 9' ' ' ARG . . . -60.63 -31.09 70.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.993 0.425 . . . . 1.0 110.553 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -73.06 -14.53 61.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.595 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' C' ' 16' ' ' TYR . . . -75.48 18.82 2.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 15' ' ' GLY . 7.2 m-85 -144.73 11.79 1.44 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.768 0.318 . . . . 1.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p -53.47 -43.05 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.692 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -53.55 -44.35 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.644 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.73 -40.85 79.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.696 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.16 -22.16 74.21 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.83 -44.88 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 1.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -68.38 -37.09 80.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.68 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.23 -44.51 64.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' C' ' 25' ' ' TRP . 4.5 m0 -64.4 -56.35 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.02 -20.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.254 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -107.0 42.81 1.24 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 169.05 -72.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.596 0.56 . . . . 1.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.14 4.77 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.992 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.436 ' O ' ' OE2' ' C' ' 34' ' ' GLU . . . -38.84 -32.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 1.0 111.471 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' C' ' 31' ' ' PHE . 20.6 t80 -91.4 -46.06 8.22 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.929 0.395 . . . . 1.0 110.725 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.53 -25.44 67.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.1 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' C' ' 35' ' ' GLY . 55.4 tt0 -59.9 -59.0 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.835 -0.802 . . . . 1.0 108.835 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' C' ' 34' ' ' GLU . 0.1 OUTLIER -41.4 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.407 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.96 -48.1 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 76.0 t -56.23 -40.41 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 122.795 -0.238 . . . . 1.0 111.155 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.19 -71.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 1.0 110.525 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.498 ' O ' HG23 ' C' ' 42' ' ' VAL . 4.4 p -39.84 -18.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.118 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.7 tp -87.23 -56.0 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.627 -0.879 . . . . 1.0 108.627 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.2 tp -66.94 -34.74 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.195 -0.911 . . . . 1.0 110.64 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.34 -24.23 62.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.943 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 38' ' ' VAL . 37.1 t -89.26 -37.75 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.36 -47.87 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.122 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.79 -47.14 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.495 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' C' ' 49' ' ' ASP . . . -55.14 -36.47 65.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.653 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' C' ' 48' ' ' LEU . 68.5 m -62.73 -45.94 90.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 1.0 109.989 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -40.72 -26.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' C' ' 46' ' ' CYS . 12.2 mt -139.64 -67.92 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' C' ' 45' ' ' ALA . 14.9 t0 64.86 87.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.931 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -153.22 14.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.491 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -49.75 152.93 1.35 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.31 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.14 -65.22 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.41 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.83 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.71 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 55.1 m -46.47 -45.72 18.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.452 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -66.84 -47.56 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.45 -45.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 28.3 tp -49.04 -50.64 35.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.884 0.373 . . . . 1.0 110.385 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.514 HD12 ' CG2' ' B' ' 107' ' ' VAL . 3.5 mm? -51.25 -51.32 55.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' C' ' 63' ' ' MET . 15.0 mm -63.22 -56.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.216 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -48.86 -52.65 23.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 5.5 m -64.92 -62.84 1.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.29 -30.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.96 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' C' ' 59' ' ' ILE . 24.6 ttm -63.64 -34.24 77.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.34 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -48.18 69.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.031 0.444 . . . . 1.0 109.864 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.31 -33.88 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.378 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.494 ' O ' ' N ' ' C' ' 69' ' ' GLU . 26.9 mtt -61.61 -45.35 94.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.14 -24.55 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.393 -0.523 . . . . 1.0 109.95 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 t -90.94 -31.61 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' C' ' 66' ' ' MET . 27.6 mt-10 -93.48 -55.32 3.33 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.5 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' C' ' 73' ' ' SER . 49.4 mt -65.79 -58.17 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 1.0 110.51 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.5 tp -52.05 -35.73 48.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.733 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' C' ' 72' ' ' ASN . 2.1 t-20 -71.25 -13.83 62.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.316 0.579 . . . . 1.0 109.453 178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.486 ' N ' ' O ' ' C' ' 70' ' ' ILE . 3.6 t -90.64 -53.19 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.15 -0.932 . . . . 1.0 110.472 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.76 -51.93 66.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.514 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.4 pp -52.71 -39.57 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.619 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' C' ' 80' ' ' ASP . 18.6 tt0 -82.65 -24.57 33.71 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.854 -0.338 . . . . 1.0 110.271 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -57.8 -52.16 66.61 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 18.0 t -53.2 -32.31 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.245 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 t -85.86 -24.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.551 -0.75 . . . . 1.0 111.118 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' C' ' 76' ' ' GLU . 64.1 m-20 -77.85 -101.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.437 0.532 . . . . 1.0 112.437 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' C' ' 82' ' ' ILE . 82.3 mtt-85 -101.57 -10.12 20.38 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 34.53 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.064 0.459 . . . . 1.0 111.553 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.56 69.27 0.39 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.5 m -166.87 30.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 1.0 110.426 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -89.45 -68.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.76 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -47.68 -32.41 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.706 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -56.55 -10.32 0.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -132.0 94.2 3.44 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.522 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.1 tp -105.95 -23.86 12.56 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.56 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 21.4 p -70.49 39.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 56.01 167.57 0.06 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.686 -0.966 . . . . 1.0 110.686 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' C' ' 96' ' ' MET . 28.6 ptt-85 -86.09 -21.72 27.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.987 0.423 . . . . 1.0 109.929 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.82 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 97' ' ' GLY . 68.4 tttt -66.82 -32.62 74.02 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.725 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -41.41 -36.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.873 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.591 ' N ' ' SD ' ' C' ' 96' ' ' MET . 1.3 mpt? -73.61 -44.55 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.782 -0.451 . . . . 1.0 109.782 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.504 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.2 -37.31 93.89 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 59.3 m -50.1 -31.4 13.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 1.0 111.591 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . 0.428 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . . . -94.78 -51.2 4.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.793 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -58.89 -24.37 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.632 -0.713 . . . . 1.0 111.801 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.683 HG13 ' N ' ' C' ' 102' ' ' LEU . 12.4 p -73.15 -60.14 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.683 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.3 tp -58.93 -44.46 91.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.0 111.06 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.86 -19.39 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.918 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -57.25 -41.26 79.28 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.485 ' O ' HG22 ' C' ' 109' ' ' VAL . 25.2 mt -62.15 -46.79 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.593 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.508 HD12 ' H ' ' C' ' 106' ' ' ILE . 5.1 mp -75.9 -30.11 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.774 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' C' ' 109' ' ' VAL . 44.9 t -83.18 -73.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.601 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -27.7 -36.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.477 0.486 . . . . 1.0 112.0 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.873 HG23 ' H ' ' C' ' 110' ' ' ILE . 30.1 m -81.19 -66.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.781 -0.452 . . . . 1.0 109.781 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . 0.873 ' H ' HG23 ' C' ' 109' ' ' VAL . 23.3 mt -51.26 -24.67 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.671 0.272 . . . . 1.0 110.406 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.445 ' O ' HD13 ' C' ' 115' ' ' LEU . 8.6 m -59.57 -53.95 52.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.865 0.364 . . . . 1.0 110.766 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -68.21 -23.7 64.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.115 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 44.8 t -64.69 -58.3 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.759 -0.376 . . . . 1.0 111.184 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.3 mp -67.15 -41.32 86.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.767 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.445 HD13 ' O ' ' C' ' 111' ' ' THR . 5.7 mp -56.37 -35.94 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' C' ' 119' ' ' HIS . 9.3 tp -71.72 -40.16 69.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.96 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -53.17 -20.67 4.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.081 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.413 ' C ' ' H ' ' C' ' 120' ' ' PHE . 3.3 m -62.38 -27.97 69.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' C' ' 116' ' ' LEU . 0.0 OUTLIER -64.04 -0.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.704 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 76.8 t80 -52.73 166.34 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.51 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.719 0 CA-C-O 117.906 -1.497 . . . . 1.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.368 -0.605 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.37 -27.15 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.439 HD22 ' H ' ' A' ' 3' ' ' ASN . 4.6 m-80 -65.77 117.07 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' ASN . 33.8 p 53.14 107.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.694 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 p -148.57 -38.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.0 -21.87 78.37 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -80.19 -30.38 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 1.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.7 p -72.9 -37.66 67.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.628 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -57.33 -49.16 77.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.643 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 10' ' ' ILE . 12.9 pt -65.69 -40.91 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.43 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.69 -49.16 84.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.158 -0.682 . . . . 1.0 109.158 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -66.07 -40.24 90.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.0 73.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -22.68 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' O ' ' CH2' ' A' ' 18' ' ' TRP . . . -42.99 -34.59 2.04 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 11.4 p90 -127.97 50.64 2.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.835 0.35 . . . . 1.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.8 p -67.64 -43.49 80.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.784 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CH2' ' O ' ' A' ' 15' ' ' GLY . 17.2 p90 -55.54 -39.48 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.69 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 81.9 tttt -66.76 -40.34 88.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.603 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.52 -5.97 89.57 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.76 -48.73 44.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.723 0.296 . . . . 1.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -70.41 -24.98 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.557 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.01 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.582 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.71 89.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.668 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.664 ' HE1' ' NE2' ' A' ' 33' ' ' GLN . 8.1 t-105 -42.24 -44.43 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.794 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 23.6 pt -92.36 -22.76 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.553 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.31 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.494 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.477 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 28' ' ' GLU . . . -73.5 5.75 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.838 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' C' ' 96' ' ' MET . . . -40.27 -36.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.165 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 32' ' ' ARG . 33.8 p90 -84.57 -49.19 8.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.539 . . . . 1.0 110.799 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.605 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 14.3 ttm180 -62.73 -23.29 67.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.943 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.664 ' NE2' ' HE1' ' A' ' 25' ' ' TRP . 52.9 tt0 -59.26 -61.28 2.75 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.01 -26.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.276 -0.875 . . . . 1.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -92.44 -46.86 3.4 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.449 -0.66 . . . . 1.0 111.449 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.9 t -46.74 -33.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.464 -0.433 . . . . 1.0 110.155 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -65.61 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.479 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -35.58 -24.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.311 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' ALA . 8.8 tp -89.96 -49.72 6.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.7 tp -61.31 -36.73 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.282 -0.872 . . . . 1.0 110.46 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.98 -26.06 62.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 38' ' ' VAL . 23.7 t -76.61 -42.28 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.041 -0.264 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -47.14 -46.43 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 1.0 110.223 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 pt -74.98 -39.35 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.406 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LEU . . . -51.86 -51.44 56.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.2 t -56.08 -49.15 74.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.462 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 45' ' ' ALA . 2.6 pp -160.85 135.28 7.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 29.6 p-10 -110.64 71.62 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.8 p -158.4 130.32 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.497 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.08 113.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.447 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.01 171.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.168 0.508 . . . . 1.0 111.045 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' THR . 2.4 pp -44.61 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.003 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.69 0.07 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.739 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.468 HH21 ' CD1' ' B' ' 57' ' ' LEU . 50.6 ttp85 -79.89 -47.89 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.783 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.4 t -62.66 -32.4 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD1' HH21 ' C' ' 55' ' ' ARG . 8.7 tp -48.76 -49.8 36.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.93 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.9 mm? -48.97 -51.7 29.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.89 -26.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.057 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -76.16 -55.19 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 1.0 110.304 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 p -64.76 -58.39 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 58' ' ' LEU . 3.0 p -49.86 -36.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.711 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 63' ' ' MET . 14.2 tmm? -68.21 -40.67 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 1.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -62.08 -53.44 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.687 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -34.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' VAL . 5.5 mmt -68.67 -26.95 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.796 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 64' ' ' LEU . 3.2 tt -55.33 -36.08 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.739 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 68' ' ' VAL . 3.8 m -85.29 -21.19 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 73' ' ' SER . 26.8 mm-40 -97.08 -79.43 0.46 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.899 -0.408 . . . . 1.0 109.899 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' SER . 2.2 mm -39.68 -60.31 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.9 tp -52.34 -40.02 61.42 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLU . 26.4 t-20 -75.56 -10.22 59.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.334 0.588 . . . . 1.0 109.677 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ILE . 2.0 m -91.11 -51.65 5.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.16 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.91 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 71' ' ' LEU . 35.6 pt -48.79 -36.99 8.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 119.951 -0.7 . . . . 1.0 109.321 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.2 mt-10 -82.95 -25.3 32.48 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.108 -0.33 . . . . 1.0 110.108 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -54.87 42.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.768 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.04 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.091 0.472 . . . . 1.0 109.803 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.65 -31.11 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.281 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 76' ' ' GLU . 9.1 m-20 -83.44 -108.1 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.577 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.74 ' H ' ' NH2' ' C' ' 92' ' ' ARG . 39.0 ttm-85 -104.3 6.24 35.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.179 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.85 -112.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.83 -143.02 5.65 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.611 -0.996 . . . . 1.0 110.611 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.49 81.17 8.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 1.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.87 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.91 -31.78 25.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.43 -34.55 77.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.46 110.62 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 91' ' ' GLY . 6.0 tp -173.79 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.8 m -72.53 34.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 54.67 169.58 0.05 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.744 ' NH2' ' H ' ' B' ' 81' ' ' ARG . 12.3 ttm180 -85.44 -25.21 27.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.957 0.408 . . . . 1.0 110.322 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.99 -51.05 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.39 73.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.788 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.37 -40.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 1.0 110.985 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.52 ' HB2' ' HB1' ' B' ' 30' ' ' ALA . 41.0 mtt -74.61 -44.54 50.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.344 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.82 -35.88 92.44 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -52.79 -28.14 21.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.853 0.359 . . . . 1.0 110.809 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.15 -54.11 3.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.39 -21.17 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 97' ' ' GLY . 3.6 t -66.28 -64.04 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.302 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.44 -47.4 66.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.185 0.517 . . . . 1.0 110.526 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 107' ' ' VAL . 17.8 mm -70.56 -21.21 22.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.692 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.57 -49.82 5.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.95 -38.77 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' ILE . 24.4 mm -70.31 -31.1 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.507 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' VAL . 82.3 t -67.34 -77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.998 0.427 . . . . 1.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.37 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.703 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 107' ' ' VAL . 36.7 t -95.4 -83.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.639 0.257 . . . . 1.0 111.237 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.6 mm -45.58 -43.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.328 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.4 m -61.26 -47.35 86.42 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.419 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -66.87 -32.34 73.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.97 0.414 . . . . 1.0 110.073 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.84 -57.9 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -67.1 -40.8 86.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.54 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.1 tp -55.77 -31.48 62.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.635 -0.505 . . . . 1.0 109.635 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 118' ' ' SER . 6.8 tp -71.54 -34.72 70.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.198 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.18 -20.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.084 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 116' ' ' LEU . 29.5 m -50.95 -22.81 2.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.477 -0.783 . . . . 1.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.501 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 6.1 p80 -62.74 -24.2 67.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.68 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 121' ' ' GLY . 90.7 t80 45.38 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.714 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.519 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.33 -27.16 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.435 ' H ' HD22 ' B' ' 3' ' ' ASN . 4.6 m-80 -65.86 117.13 7.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.423 ' O ' ' O ' ' B' ' 3' ' ' ASN . 33.9 p 53.06 107.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.7 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -148.46 -38.75 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.377 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.93 -21.83 78.27 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -80.19 -30.39 38.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 1.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -72.96 -37.61 67.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -57.41 -49.13 77.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.66 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -65.73 -40.78 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.433 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.63 -49.27 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -66.03 -40.26 90.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.442 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.01 73.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.23 -22.81 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.519 ' O ' ' CH2' ' B' ' 18' ' ' TRP . . . -42.89 -34.64 1.99 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.098 -0.801 . . . . 1.0 111.098 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' B' ' 16' ' ' TYR . 11.5 p90 -128.0 50.77 2.02 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.88 0.371 . . . . 1.0 110.38 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.9 p -67.8 -43.05 80.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' O ' ' B' ' 15' ' ' GLY . 17.0 p90 -55.88 -39.43 71.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.709 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' B' ' 18' ' ' TRP . 82.1 tttt -66.93 -40.13 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.629 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.65 -5.87 89.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.75 -48.88 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 1.0 110.458 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.33 -24.96 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.49 -28.04 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.657 ' HE1' ' NE2' ' B' ' 33' ' ' GLN . 8.2 t-105 -42.23 -44.55 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.773 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 23.8 pt -92.32 -22.66 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.641 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -108.39 42.5 1.37 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 29' ' ' ALA . 3.7 tm-20 -179.12 -81.28 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.488 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' B' ' 28' ' ' GLU . . . -73.59 5.75 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 96' ' ' MET . . . -40.11 -36.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.175 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.607 ' CG ' ' N ' ' B' ' 32' ' ' ARG . 33.8 p90 -84.52 -49.08 8.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.288 0.566 . . . . 1.0 110.841 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.607 ' N ' ' CG ' ' B' ' 31' ' ' PHE . 14.3 ttm180 -62.77 -23.42 67.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 1.0 109.895 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.657 ' NE2' ' HE1' ' B' ' 25' ' ' TRP . 53.0 tt0 -59.16 -61.28 2.75 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.579 -0.897 . . . . 1.0 108.579 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -40.97 -26.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.309 -0.86 . . . . 1.0 110.604 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -92.42 -46.79 3.42 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.507 -0.637 . . . . 1.0 111.507 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -46.78 -33.99 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.207 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -65.6 -66.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.541 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -35.6 -24.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.305 -178.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' B' ' 37' ' ' ALA . 8.8 tp -89.9 -49.69 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.9 tp -61.38 -36.58 80.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.534 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 -26.09 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.251 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 38' ' ' VAL . 23.9 t -76.54 -42.3 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.683 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.02 -46.53 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 1.0 110.162 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 44' ' ' ILE . 18.7 pt -75.03 -39.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.405 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' B' ' 48' ' ' LEU . . . -51.86 -51.39 57.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.543 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.17 -49.18 74.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.968 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -54.96 -32.41 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' B' ' 45' ' ' ALA . 2.5 pp -160.83 135.23 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 49' ' ' ASP . 29.7 p-10 -110.6 71.58 0.75 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.443 ' O ' HG13 ' B' ' 50' ' ' VAL . 10.9 p -158.28 130.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.39 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.05 113.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.354 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.51 171.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.147 0.499 . . . . 1.0 111.016 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.4 pp -44.62 -37.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.029 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.422 ' C ' ' O ' ' B' ' 53' ' ' ILE . 0.9 OUTLIER -33.97 -39.76 0.07 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.379 0.425 . . . . 1.0 110.786 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.456 HH21 ' CD1' ' C' ' 57' ' ' LEU . 50.8 ttp85 -79.87 -47.89 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.748 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 53' ' ' ILE . 11.3 t -62.5 -32.41 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.468 ' CD1' HH21 ' A' ' 55' ' ' ARG . 8.8 tp -48.87 -49.7 38.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.893 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.534 ' O ' HG12 ' B' ' 62' ' ' VAL . 3.9 mm? -49.03 -51.72 29.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 1.0 109.146 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.02 -26.65 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 1.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -64.88 -58.37 6.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.083 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.534 HG12 ' O ' ' B' ' 58' ' ' LEU . 3.0 p -49.91 -36.57 11.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.689 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 63' ' ' MET . 14.2 tmm? -68.33 -40.73 81.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 1.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.518 ' O ' HG22 ' B' ' 67' ' ' ILE . 0.2 OUTLIER -62.02 -53.48 54.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.49 -34.16 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' B' ' 62' ' ' VAL . 5.5 mmt -68.74 -26.85 65.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.735 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 64' ' ' LEU . 3.2 tt -55.47 -36.03 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.635 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' VAL . 3.8 m -85.34 -21.11 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.74 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' B' ' 73' ' ' SER . 26.6 mm-40 -97.09 -79.37 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 73' ' ' SER . 2.2 mm -39.73 -60.23 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.34 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.9 tp -52.45 -39.9 61.61 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.322 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 69' ' ' GLU . 26.5 t-20 -75.72 -10.13 59.18 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.29 0.567 . . . . 1.0 109.647 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.9 m -91.02 -51.71 5.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.356 -0.838 . . . . 1.0 110.629 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.2 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.887 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' B' ' 71' ' ' LEU . 35.5 pt -48.77 -36.98 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 119.929 -0.708 . . . . 1.0 109.347 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 80' ' ' ASP . 53.3 mt-10 -82.96 -25.21 32.52 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.152 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.4 -54.91 41.64 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.464 -0.495 . . . . 1.0 110.779 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.39 -31.02 22.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.872 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.65 -31.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.34 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' B' ' 76' ' ' GLU . 9.2 m-20 -83.4 -108.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.619 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.744 ' H ' ' NH2' ' A' ' 92' ' ' ARG . 39.2 ttm-85 -104.36 6.28 35.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 13.0 mt 64.93 -112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.81 -142.96 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -85.5 81.21 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.702 0.286 . . . . 1.0 110.52 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.94 22.01 0.98 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.482 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.97 25.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.18 -34.62 77.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.944 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.43 110.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.728 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.8 tp -173.58 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.749 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -72.44 34.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.114 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 54.5 169.6 0.05 OUTLIER Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' C' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.27 27.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.902 0.382 . . . . 1.0 110.312 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.1 69.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.74 -32.45 73.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.766 -0.373 . . . . 1.0 110.76 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.35 -40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 1.0 110.882 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' C' ' 30' ' ' ALA . 41.0 mtt -74.54 -44.56 50.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.361 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.57 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.82 -35.97 92.55 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 29.0 t -52.76 -28.13 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 1.0 110.791 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.13 -54.12 3.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 1.0 109.241 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.28 -21.35 59.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.113 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 97' ' ' GLY . 3.6 t -66.22 -64.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.582 -0.281 . . . . 1.0 110.392 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.47 -47.27 66.6 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 1.0 110.582 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.462 HG22 HG23 ' B' ' 107' ' ' VAL . 18.0 mm -70.64 -21.21 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.696 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.53 -49.8 5.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.835 -0.346 . . . . 1.0 110.831 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.401 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.9 pt -64.0 -38.77 83.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' B' ' 103' ' ' ILE . 24.2 mm -70.2 -31.22 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.604 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' B' ' 109' ' ' VAL . 82.8 t -67.3 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-O 121.066 0.46 . . . . 1.0 110.621 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.41 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.776 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 107' ' ' VAL . 36.5 t -95.46 -83.22 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.252 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.52 -43.71 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.37 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.32 -47.34 86.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.439 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.8 -32.39 73.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 1.0 110.111 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 13.1 t -65.82 -57.9 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.687 HD13 ' O ' ' B' ' 114' ' ' ILE . 0.2 OUTLIER -67.07 -40.71 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.591 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.82 -31.58 62.82 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' B' ' 118' ' ' SER . 6.7 tp -71.37 -34.84 70.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.204 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -46.24 -20.51 0.11 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.181 0.515 . . . . 1.0 110.042 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . 0.431 ' N ' ' C ' ' B' ' 116' ' ' LEU . 28.7 m -50.94 -22.73 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 1.0 109.973 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 6.1 p80 -62.86 -24.19 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.606 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' B' ' 121' ' ' GLY . 90.7 t80 45.38 -93.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.65 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.979 -1.456 . . . . 1.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.417 -0.586 . . . . 1.0 109.417 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -52.3 -27.22 14.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.6 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.442 HD22 ' H ' ' C' ' 3' ' ' ASN . 4.5 m-80 -65.72 117.09 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.422 ' O ' ' O ' ' C' ' 3' ' ' ASN . 33.8 p 53.03 107.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.692 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 71.6 p -148.54 -38.78 0.17 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.98 -21.75 78.32 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -80.29 -30.41 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 1.0 110.509 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 p -72.94 -37.63 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.656 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -57.3 -49.15 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.406 HG21 HD13 ' C' ' 10' ' ' ILE . 13.1 pt -65.77 -40.87 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.393 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.51 -49.28 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -66.11 -40.24 90.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.351 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.93 73.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.28 -22.8 44.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.526 ' O ' ' CH2' ' C' ' 18' ' ' TRP . . . -43.01 -34.56 2.05 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' C' ' 16' ' ' TYR . 11.7 p90 -127.99 50.74 2.02 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.796 0.331 . . . . 1.0 110.412 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 29.7 p -67.62 -43.57 80.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . 0.526 ' CH2' ' O ' ' C' ' 15' ' ' GLY . 17.2 p90 -55.47 -39.52 70.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.675 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.514 ' N ' ' CD1' ' C' ' 18' ' ' TRP . 82.2 tttt -66.85 -40.27 87.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.549 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 -5.99 89.57 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -71.72 -48.76 44.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 1.0 110.507 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -70.49 -24.99 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -27.98 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.66 89.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.645 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.657 ' HE1' ' NE2' ' C' ' 33' ' ' GLN . 8.2 t-105 -42.36 -44.43 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.774 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 23.8 pt -92.35 -22.77 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.614 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -108.29 42.57 1.35 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' C' ' 29' ' ' ALA . 3.7 tm-20 -179.16 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.515 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' C' ' 28' ' ' GLU . . . -73.6 5.66 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' B' ' 96' ' ' MET . . . -40.15 -36.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.389 -0.368 . . . . 1.0 111.232 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' C' ' 32' ' ' ARG . 34.0 p90 -84.61 -49.0 8.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.249 0.547 . . . . 1.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.608 ' N ' ' CG ' ' C' ' 31' ' ' PHE . 14.3 ttm180 -62.79 -23.47 67.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.89 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.657 ' NE2' ' HE1' ' C' ' 25' ' ' TRP . 53.0 tt0 -59.18 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -40.94 -26.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -92.41 -46.89 3.4 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.467 -0.653 . . . . 1.0 111.467 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.8 t -46.84 -33.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 122.427 -0.455 . . . . 1.0 110.147 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -65.75 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.497 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.605 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -35.57 -24.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.319 -178.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' C' ' 37' ' ' ALA . 7.3 tp -90.01 -49.59 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.6 tp -61.14 -36.87 80.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.08 63.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.386 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' C' ' 38' ' ' VAL . 23.7 t -76.54 -42.31 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.658 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -47.04 -46.48 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.025 0.44 . . . . 1.0 110.237 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.412 HG12 ' H ' ' C' ' 44' ' ' ILE . 18.8 pt -75.05 -39.28 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.397 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' LEU . . . -51.91 -51.37 57.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 45.7 t -56.17 -49.14 74.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.969 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -55.08 -32.34 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.467 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ALA . 2.6 pp -160.81 135.27 7.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.599 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' C' ' 49' ' ' ASP . 29.8 p-10 -110.63 71.44 0.75 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.581 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . 0.433 ' O ' HG13 ' C' ' 50' ' ' VAL . 10.8 p -158.24 130.38 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -179.09 112.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.393 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.88 171.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 1.0 111.074 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' C' ' 54' ' ' THR . 2.3 pp -44.62 -37.76 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 1.0 111.003 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . 0.424 ' C ' ' O ' ' C' ' 53' ' ' ILE . 0.9 OUTLIER -34.23 -39.81 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.763 -179.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.466 HH21 ' CD1' ' A' ' 57' ' ' LEU . 50.7 ttp85 -79.74 -47.89 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.823 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 53' ' ' ILE . 11.6 t -62.61 -32.34 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.456 ' CD1' HH21 ' B' ' 55' ' ' ARG . 8.7 tp -48.89 -49.77 38.21 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.976 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.52 ' O ' HG12 ' C' ' 62' ' ' VAL . 3.9 mm? -48.82 -51.86 27.21 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.88 -26.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -76.07 -55.23 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.956 0.408 . . . . 1.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.2 p -64.77 -58.42 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.132 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.52 HG12 ' O ' ' C' ' 58' ' ' LEU . 3.0 p -49.91 -36.49 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.697 -178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' C' ' 63' ' ' MET . 14.2 tmm? -68.4 -40.67 81.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.0 110.73 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.512 ' O ' HG22 ' C' ' 67' ' ' ILE . 0.2 OUTLIER -62.01 -53.46 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.695 -179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.36 -34.3 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.535 -0.466 . . . . 1.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.431 ' CG ' ' O ' ' C' ' 62' ' ' VAL . 5.5 mmt -68.65 -26.97 65.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.758 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.512 HG22 ' O ' ' C' ' 64' ' ' LEU . 3.2 tt -55.39 -36.0 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.769 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 3.8 m -85.31 -21.15 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.508 -0.477 . . . . 1.0 110.737 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' C' ' 73' ' ' SER . 26.7 mm-40 -97.11 -79.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' C' ' 73' ' ' SER . 2.2 mm -39.71 -60.3 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.593 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.9 tp -52.32 -40.05 61.39 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 119.899 -0.72 . . . . 1.0 109.366 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' C' ' 69' ' ' GLU . 26.5 t-20 -75.64 -10.09 59.14 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.307 0.575 . . . . 1.0 109.679 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.9 m -91.07 -51.63 5.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.449 -0.796 . . . . 1.0 110.693 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.6 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.593 HG23 ' O ' ' C' ' 71' ' ' LEU . 35.7 pt -48.85 -36.88 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 119.81 -0.756 . . . . 1.0 109.356 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 80' ' ' ASP . 53.1 mt-10 -82.97 -25.22 32.49 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.13 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.84 42.46 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.495 -0.482 . . . . 1.0 110.829 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.35 -31.08 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.848 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.67 -31.06 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.302 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 76' ' ' GLU . 9.2 m-20 -83.43 -108.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.596 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.735 ' H ' ' NH2' ' B' ' 92' ' ' ARG . 39.1 ttm-85 -104.3 6.2 35.14 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.144 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt 64.86 -112.74 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.86 -142.98 5.62 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -85.46 81.08 8.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.33 . . . . 1.0 110.557 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -82.84 21.95 0.97 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.521 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -83.93 -31.78 25.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.663 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -67.4 -34.53 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -42.33 110.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' C' ' 91' ' ' GLY . 6.9 tp -173.71 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.754 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 66.1 m -72.45 34.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 54.57 169.58 0.05 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.74 ' NH2' ' H ' ' A' ' 81' ' ' ARG . 12.3 ttm180 -85.39 -25.24 27.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 1.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.06 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.643 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -66.75 -32.41 73.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -40.39 -40.62 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 1.0 110.912 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.496 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 41.2 mtt -74.59 -44.51 50.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.367 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.572 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.83 -36.01 92.59 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -52.68 -28.17 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 1.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.22 -54.03 3.99 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.17 59.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.083 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.572 HG23 ' O ' ' C' ' 97' ' ' GLY . 3.6 t -66.27 -64.03 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.361 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.4 -47.26 66.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.298 0.57 . . . . 1.0 110.666 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.461 HG22 HG23 ' C' ' 107' ' ' VAL . 17.9 mm -70.77 -21.11 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -42.58 -49.87 5.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.758 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 2.9 pt -63.9 -38.79 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' C' ' 103' ' ' ILE . 24.4 mm -70.29 -31.17 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.541 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 109' ' ' VAL . 81.6 t -67.33 -77.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.978 0.418 . . . . 1.0 110.624 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . . . . . . . . . . . -36.46 -26.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.773 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' C' ' 107' ' ' VAL . 36.7 t -95.41 -83.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.254 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 25.5 mm -45.55 -43.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.333 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -61.32 -47.33 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.486 -0.486 . . . . 1.0 110.371 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -66.86 -32.25 73.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 1.0 110.14 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -65.85 -57.99 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.921 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.683 HD13 ' O ' ' C' ' 114' ' ' ILE . 0.2 OUTLIER -67.06 -40.81 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.7 -31.62 62.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.435 ' C ' ' N ' ' C' ' 118' ' ' SER . 6.8 tp -71.46 -34.82 70.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.14 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -46.16 -20.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.188 0.518 . . . . 1.0 110.075 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.435 ' N ' ' C ' ' C' ' 116' ' ' LEU . 29.3 m -50.87 -22.88 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 1.0 109.953 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 6.0 p80 -62.74 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.654 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' C' ' 121' ' ' GLY . 90.8 t80 45.36 -93.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.722 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 117.991 -1.45 . . . . 1.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -162.43 -66.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' THR . 10.0 t-20 59.66 164.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.57 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 3' ' ' ASN . 9.1 m 59.31 120.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.7 m -161.57 -41.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 43.16 0.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -77.84 -43.79 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.821 0.343 . . . . 1.0 110.541 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.67 -36.53 69.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.589 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -56.71 -40.03 74.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.432 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.25 -48.09 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.2 -48.61 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.983 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.77 -37.15 85.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.404 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.74 72.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -61.48 -43.01 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.299 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.89 -23.77 0.31 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.923 -0.581 . . . . 1.0 111.786 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -115.13 24.22 11.86 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.859 0.361 . . . . 1.0 110.053 -179.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -53.61 -27.81 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -50.28 -45.45 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.594 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -64.46 -42.47 95.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.16 -18.8 71.48 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.23 -47.93 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -71.74 -26.92 62.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.53 21.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.049 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.65 -55.84 8.91 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.261 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 26' ' ' ILE . 92.6 mt -72.38 -13.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.444 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 44.0 t30 -61.38 -62.04 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.632 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' ALA . 35.1 tt0 -124.97 -44.7 1.91 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' HH21 ' A' ' 32' ' ' ARG . . . -65.23 4.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.693 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -41.42 -23.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.0 t80 -76.09 -48.99 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.627 -0.509 . . . . 1.0 109.627 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 ' HB2' ' A' ' 29' ' ' ALA . 88.2 mtm-85 -63.21 -33.5 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.72 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 36' ' ' VAL . 1.7 tp-100 -59.44 -63.96 1.12 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 tt0 -35.8 -31.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.068 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -76.8 -43.36 18.27 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.507 -1.037 . . . . 1.0 110.507 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' GLN . 80.9 t -48.51 -45.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -12.95 60.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.003 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 34' ' ' GLU . 95.6 t -93.16 -31.66 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.682 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.01 -62.86 1.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.728 0.299 . . . . 1.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.06 -39.42 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.888 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.12 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.771 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 76.1 t -77.83 -39.57 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.741 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -47.28 -38.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 1.0 110.411 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -73.9 -43.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.68 -51.92 67.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.443 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.37 -39.41 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.623 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -102.28 -168.24 1.51 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.376 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.14 -0.96 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -156.75 133.97 10.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.463 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.79 -178.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.327 0.584 . . . . 1.0 111.672 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 56' ' ' VAL . 2.2 pp -50.89 -38.7 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.93 . . . . 1.0 110.957 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' ILE . 82.6 p -35.03 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.022 0.439 . . . . 1.0 110.633 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ILE . 45.7 ttp85 -80.55 -48.23 13.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.197 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' ILE . 4.0 t -66.14 -39.12 83.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.641 -0.709 . . . . 1.0 111.058 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 2.5 tt -47.62 -46.05 28.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 62' ' ' VAL . 16.0 mt -47.87 -45.81 30.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.46 HD12 HD11 ' B' ' 64' ' ' LEU . 14.4 mm -73.24 -26.47 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.201 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 t -69.77 -55.72 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.6 -60.43 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.197 0.523 . . . . 1.0 111.038 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.612 HG12 HD12 ' C' ' 103' ' ' ILE . 11.3 m -50.42 -33.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.05 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' A' ' 66' ' ' MET . 24.5 tpp -68.38 -47.06 68.39 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.398 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HD12 ' C' ' 59' ' ' ILE . 3.5 mp -54.19 -52.62 60.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.161 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 16.8 m -62.19 -33.18 57.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.635 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -62.57 -44.38 96.46 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -50.75 -46.98 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.794 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.0 t -83.88 -34.14 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 112.299 0.481 . . . . 1.0 112.299 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 mp0 -92.09 -79.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.411 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 70' ' ' ILE . 21.2 mm -41.57 -55.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.142 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.6 tp -53.75 -36.75 62.69 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 119.224 -0.99 . . . . 1.0 109.41 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 59.4 t-20 -79.44 -11.9 59.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.084 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.54 -52.25 4.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.148 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.5 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 109.952 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 71' ' ' LEU . 34.8 pt -51.49 -34.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.766 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ASP . 66.7 tt0 -86.76 -26.9 23.93 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.29 -51.48 69.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.13 -32.06 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-N 115.143 -0.935 . . . . 1.0 109.548 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.67 -24.53 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.115 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' GLU . 60.8 t0 -82.53 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.661 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 82' ' ' ILE . 13.5 ptm180 -106.0 -35.3 7.32 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.824 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.5 tt 36.05 98.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.164 0.506 . . . . 1.0 111.348 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -79.84 -33.32 33.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 83' ' ' GLY . 6.4 m 58.31 119.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 1.0 110.68 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -44.72 153.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.74 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.77 -27.92 28.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -72.62 -62.44 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.859 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.04 101.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.231 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' GLY . 6.7 tp -155.77 -21.15 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.76 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -64.91 59.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.555 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 60.72 164.7 0.21 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.55 -19.52 33.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.19 0.519 . . . . 1.0 109.825 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.31 67.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' GLY . 54.2 tttp -66.91 -35.22 79.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.228 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 30.7 m-20 -41.12 -35.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.979 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.2 mtm -73.85 -43.22 59.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.212 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 101' ' ' VAL . . . -65.26 -37.01 93.49 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.16 -27.18 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 1.0 110.58 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.9 -53.63 3.62 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -57.59 -22.75 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.671 -0.695 . . . . 1.0 111.539 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 102' ' ' LEU . 13.7 p -74.07 -60.12 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.682 ' N ' HG13 ' A' ' 101' ' ' VAL . 6.4 tp -56.21 -49.27 74.57 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.398 0.618 . . . . 1.0 110.914 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 HG12 ' B' ' 62' ' ' VAL . 3.9 pt -69.2 -18.79 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 120.309 -0.556 . . . . 1.0 110.442 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -42.0 -49.0 4.68 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.059 0.457 . . . . 1.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 106' ' ' ILE . 2.3 tt -67.04 -43.33 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.357 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 105' ' ' ILE . 1.7 mp -67.25 -35.38 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.44 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 109' ' ' VAL . 66.1 t -79.32 -74.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.203 -0.199 . . . . 1.0 110.992 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -35.0 -29.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.958 0.409 . . . . 1.0 111.217 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 107' ' ' VAL . 87.7 t -87.38 -81.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.421 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.0 mm -45.85 -24.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.878 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 62.6 m -59.34 -50.94 72.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.933 0.397 . . . . 1.0 110.159 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.61 -24.34 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.504 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.56 -59.33 5.62 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.819 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.9 tp -66.41 -40.4 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.31 73.19 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.493 -0.558 . . . . 1.0 109.493 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.77 -43.68 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.432 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.88 -32.32 44.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.127 0.489 . . . . 1.0 110.18 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.3 m -49.71 -33.8 17.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.282 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.73 85.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -156.2 141.61 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.781 0 CA-C-O 118.035 -1.425 . . . . 1.0 110.919 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.392 -0.595 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -162.45 -66.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.534 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' THR . 10.0 t-20 59.61 163.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.414 ' O ' ' O ' ' B' ' 3' ' ' ASN . 9.0 m 59.37 120.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.512 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.0 m -161.57 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.44 43.16 0.15 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.004 -0.839 . . . . 1.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -77.85 -43.82 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.405 HG22 ' H ' ' B' ' 8' ' ' THR . 0.2 OUTLIER -56.66 -36.57 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.554 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.72 -39.93 74.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.503 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.2 -48.16 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.44 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mt -62.19 -48.59 87.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.073 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.79 -37.12 85.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.421 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -32.71 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -61.56 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.278 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.93 -23.85 0.31 Allowed Glycine 0 CA--C 1.527 0.791 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.71 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -115.05 24.31 11.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.906 0.384 . . . . 1.0 110.097 -179.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -53.32 -28.62 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.512 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.5 m0 -49.88 -45.4 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.601 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -64.48 -42.36 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -18.82 71.76 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.72 -38.94 79.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.506 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -63.84 -48.11 78.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.479 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -71.72 -26.94 62.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.63 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.87 -32.55 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.063 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.61 -55.97 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.444 HG22 ' O ' ' B' ' 26' ' ' ILE . 92.8 mt -72.26 -13.88 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 23' ' ' ALA . 44.2 t30 -61.25 -62.06 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.663 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' B' ' 30' ' ' ALA . 35.2 tt0 -124.97 -44.63 1.91 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.987 0.422 . . . . 1.0 110.469 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.701 ' HB2' HH21 ' B' ' 32' ' ' ARG . . . -65.37 4.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -41.35 -23.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' B' ' 29' ' ' ALA . 23.0 t80 -76.02 -48.89 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.248 0.547 . . . . 1.0 109.734 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.701 HH21 ' HB2' ' B' ' 29' ' ' ALA . 88.3 mtm-85 -63.31 -33.54 75.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.364 -0.834 . . . . 1.0 109.6 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' B' ' 36' ' ' VAL . 1.7 tp-100 -59.46 -63.92 1.13 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.569 -0.9 . . . . 1.0 108.569 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 38' ' ' VAL . 78.5 tt0 -35.83 -31.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.128 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -76.95 -43.29 17.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.467 -1.053 . . . . 1.0 110.467 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.564 ' N ' ' O ' ' B' ' 33' ' ' GLN . 81.1 t -48.51 -45.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.57 -13.02 60.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.034 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 34' ' ' GLU . 96.1 t -93.15 -31.63 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.68 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.01 -62.85 1.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.73 0.3 . . . . 1.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.0 -39.5 41.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.869 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.21 74.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.743 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 38' ' ' VAL . 76.0 t -77.7 -39.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.688 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -47.23 -38.17 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 1.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -73.95 -43.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.68 72.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.3 m -60.69 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -43.33 -39.31 3.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.73 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -102.26 -168.21 1.5 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.421 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.13 -1.02 2.68 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.416 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 p -158.49 140.29 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -156.86 133.89 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.445 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.77 -178.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.298 0.571 . . . . 1.0 111.715 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' B' ' 56' ' ' VAL . 2.2 pp -50.9 -38.68 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.996 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 53' ' ' ILE . 82.7 p -34.95 -33.24 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.059 0.457 . . . . 1.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 53' ' ' ILE . 45.7 ttp85 -80.58 -48.31 12.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.131 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 53' ' ' ILE . 4.0 t -66.06 -39.24 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.054 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.517 ' O ' HD23 ' B' ' 57' ' ' LEU . 2.5 tt -47.56 -46.12 27.67 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.535 ' O ' HG13 ' B' ' 62' ' ' VAL . 15.9 mt -47.77 -45.86 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.518 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.479 HD12 HD11 ' C' ' 64' ' ' LEU . 14.4 mm -73.19 -26.49 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.251 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.8 -55.75 8.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -60.67 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.155 0.503 . . . . 1.0 110.972 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 103' ' ' ILE . 11.4 m -50.46 -33.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.072 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.539 ' CE ' ' SD ' ' B' ' 66' ' ' MET . 24.7 tpp -68.24 -47.2 68.42 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.433 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.46 HD11 HD12 ' A' ' 59' ' ' ILE . 3.4 mp -54.14 -52.49 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.196 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.418 ' O ' ' OE1' ' B' ' 69' ' ' GLU . 16.6 m -62.37 -33.05 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.539 ' SD ' ' CE ' ' B' ' 63' ' ' MET . 0.0 OUTLIER -62.65 -44.38 96.41 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.708 -0.478 . . . . 1.0 109.708 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 91.3 mt -50.71 -47.08 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.862 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.72 -34.23 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' B' ' 69' ' ' GLU . 1.1 mp0 -92.06 -79.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.42 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mm -41.57 -55.94 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.142 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 75' ' ' ILE . 1.6 tp -53.78 -36.66 62.65 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 119.18 -1.008 . . . . 1.0 109.408 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 72' ' ' ASN . 59.3 t-20 -79.42 -11.88 59.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.118 0.485 . . . . 1.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -90.56 -52.22 5.01 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.106 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.59 73.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.908 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.608 HG23 ' O ' ' B' ' 71' ' ' LEU . 34.6 pt -51.41 -35.04 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.784 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 66.8 tt0 -86.73 -26.97 23.94 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.53 68.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.1 -32.1 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.526 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.7 -24.41 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.127 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 61.0 t0 -82.65 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.633 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 82' ' ' ILE . 13.5 ptm180 -105.99 -35.3 7.32 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.428 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.5 tt 36.01 98.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.276 0.56 . . . . 1.0 111.331 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -79.8 -33.26 34.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.609 -0.996 . . . . 1.0 110.609 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 83' ' ' GLY . 6.3 m 58.3 119.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.78 153.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.741 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -83.82 -27.86 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.755 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.68 -62.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.792 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -47.0 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 91' ' ' GLY . 6.8 tp -155.83 -21.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.659 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 54.1 m -65.0 59.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.932 0.396 . . . . 1.0 111.543 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 60.72 164.69 0.21 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.52 -19.58 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.095 0.474 . . . . 1.0 109.773 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -50.29 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.558 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' B' ' 97' ' ' GLY . 54.1 tttp -66.8 -35.41 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 1.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 30.9 m-20 -41.04 -35.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.921 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.404 ' HG2' HD11 ' C' ' 70' ' ' ILE . 29.2 mtm -73.81 -43.22 59.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.238 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.489 ' O ' HG12 ' B' ' 101' ' ' VAL . . . -65.21 -37.04 93.57 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -51.22 -27.15 8.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 1.0 110.583 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.92 -53.55 3.64 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -57.63 -22.81 47.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.446 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.699 HG13 ' N ' ' B' ' 102' ' ' LEU . 13.6 p -74.03 -60.16 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.235 0.457 . . . . 1.0 112.235 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.699 ' N ' HG13 ' B' ' 101' ' ' VAL . 7.3 tp -55.98 -49.44 73.57 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.36 0.6 . . . . 1.0 110.944 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.613 HD12 HG12 ' C' ' 62' ' ' VAL . 3.9 pt -69.21 -18.71 22.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.474 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -42.03 -48.97 4.71 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.094 0.473 . . . . 1.0 110.359 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.475 HG23 HD12 ' B' ' 106' ' ' ILE . 2.3 tt -67.06 -43.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.326 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.475 HD12 HG23 ' B' ' 105' ' ' ILE . 1.7 mp -67.18 -35.43 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 120.092 -0.643 . . . . 1.0 110.412 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 109' ' ' VAL . 66.7 t -79.33 -73.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 121.19 -0.204 . . . . 1.0 111.016 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 107' ' ' VAL . . . -35.01 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.949 0.404 . . . . 1.0 111.253 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 107' ' ' VAL . 87.1 t -87.41 -81.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.4 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 44.6 mm -45.84 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.914 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 62.5 m -59.41 -50.82 72.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.914 0.388 . . . . 1.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.76 -24.17 55.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 t -59.55 -59.44 5.44 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.715 -0.394 . . . . 1.0 110.825 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.29 -40.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.538 ' O ' HD23 ' B' ' 115' ' ' LEU . 0.9 OUTLIER -56.53 -39.36 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 26.2 mt -71.69 -43.76 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.411 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -52.92 -32.24 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.987 0.423 . . . . 1.0 110.13 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 36.9 m -49.68 -33.88 16.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.223 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -46.68 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.514 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -156.23 141.62 17.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.414 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 CA-C-O 117.975 -1.459 . . . . 1.0 110.936 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -162.42 -66.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' C' ' 4' ' ' THR . 10.0 t-20 59.66 164.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.422 ' O ' ' O ' ' C' ' 3' ' ' ASN . 9.0 m 59.27 120.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.58 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.2 m -161.64 -41.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.55 43.11 0.15 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.984 -0.847 . . . . 1.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.83 -43.73 29.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.327 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.408 ' H ' HG22 ' C' ' 8' ' ' THR . 0.2 OUTLIER -56.71 -36.49 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.612 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.71 -40.05 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.411 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.22 -48.22 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.401 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 mt -62.19 -48.46 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.102 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.89 -37.08 85.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.389 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.71 72.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -61.45 -43.04 99.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.272 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 -23.83 0.3 Allowed Glycine 0 CA--C 1.526 0.737 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.737 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' C' ' 14' ' ' ALA . 0.2 OUTLIER -115.05 24.21 11.89 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.853 0.359 . . . . 1.0 110.14 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 68.5 p -53.56 -27.86 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -50.27 -45.49 54.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -64.38 -42.35 96.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.32 -18.86 71.86 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.78 -38.97 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 1.0 110.447 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -63.84 -48.13 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.462 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -71.59 -27.08 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.677 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.87 -32.56 20.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.055 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -69.67 -55.78 9.07 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.263 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.438 ' O ' HG22 ' C' ' 26' ' ' ILE . 92.8 mt -72.4 -13.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.39 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' C' ' 23' ' ' ALA . 44.2 t30 -61.2 -62.05 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.663 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' C' ' 30' ' ' ALA . 35.1 tt0 -125.07 -44.62 1.9 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.394 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.677 ' HB2' HH21 ' C' ' 32' ' ' ARG . . . -65.35 4.26 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.587 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -41.38 -23.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' C' ' 29' ' ' ALA . 22.8 t80 -75.99 -48.99 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.204 0.526 . . . . 1.0 109.715 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.677 HH21 ' HB2' ' C' ' 29' ' ' ALA . 88.1 mtm-85 -63.19 -33.59 75.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.336 -0.847 . . . . 1.0 109.628 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' C' ' 36' ' ' VAL . 1.7 tp-100 -59.42 -64.03 1.09 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.477 ' O ' HG23 ' C' ' 38' ' ' VAL . 78.5 tt0 -35.78 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.303 -0.862 . . . . 1.0 111.109 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -76.88 -43.31 18.0 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.501 -1.04 . . . . 1.0 110.501 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.56 ' N ' ' O ' ' C' ' 33' ' ' GLN . 81.7 t -48.48 -45.58 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.768 -0.456 . . . . 1.0 109.768 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.9 60.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.039 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.477 HG23 ' O ' ' C' ' 34' ' ' GLU . 95.8 t -93.2 -31.61 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.05 -62.8 1.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.723 0.297 . . . . 1.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -49.88 -39.65 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.921 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.24 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 38' ' ' VAL . 76.3 t -77.79 -39.69 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.682 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -47.22 -38.15 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 1.0 110.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.03 -43.26 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.545 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.664 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 74.1 m -60.69 -51.93 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -43.35 -39.27 3.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.684 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -102.38 -168.17 1.5 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.391 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -135.19 -0.97 2.67 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.404 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -158.61 140.25 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -156.8 133.88 10.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.385 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.76 -178.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.375 0.607 . . . . 1.0 111.671 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' C' ' 56' ' ' VAL . 2.2 pp -50.82 -38.82 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.178 -0.919 . . . . 1.0 110.951 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . 0.429 ' C ' ' O ' ' C' ' 53' ' ' ILE . 82.8 p -34.96 -33.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.995 0.426 . . . . 1.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' C' ' 53' ' ' ILE . 45.5 ttp85 -80.51 -48.3 12.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.198 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' C' ' 53' ' ' ILE . 4.0 t -66.09 -39.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 1.0 111.092 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 57' ' ' LEU . 2.5 tt -47.55 -46.14 27.57 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' C' ' 62' ' ' VAL . 15.9 mt -47.79 -45.79 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.527 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 64' ' ' LEU . 14.4 mm -73.3 -26.46 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.217 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -69.76 -55.78 8.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.3 t -60.64 -60.35 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.172 0.51 . . . . 1.0 111.038 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.613 HG12 HD12 ' B' ' 103' ' ' ILE . 11.3 m -50.48 -32.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.045 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.544 ' CE ' ' SD ' ' C' ' 66' ' ' MET . 24.3 tpp -68.43 -47.02 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.368 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.479 HD11 HD12 ' B' ' 59' ' ' ILE . 3.4 mp -54.29 -52.49 61.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.159 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' C' ' 69' ' ' GLU . 16.8 m -62.28 -33.12 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.59 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.544 ' SD ' ' CE ' ' C' ' 63' ' ' MET . 0.0 OUTLIER -62.6 -44.4 96.39 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -50.74 -47.08 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.803 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 t -83.74 -34.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 N-CA-C 112.433 0.531 . . . . 1.0 112.433 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' C' ' 69' ' ' GLU . 1.2 mp0 -92.11 -79.42 0.38 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.42 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' C' ' 70' ' ' ILE . 21.3 mm -41.65 -55.85 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.161 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.597 ' O ' HG23 ' C' ' 75' ' ' ILE . 1.6 tp -53.81 -36.73 62.8 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 119.199 -1.001 . . . . 1.0 109.378 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' C' ' 72' ' ' ASN . 59.2 t-20 -79.34 -11.92 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.151 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.5 m -90.58 -52.16 5.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.187 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.51 73.77 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.153 0.501 . . . . 1.0 109.941 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.597 HG23 ' O ' ' C' ' 71' ' ' LEU . 34.6 pt -51.34 -35.11 15.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.6 -0.727 . . . . 1.0 109.778 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' C' ' 80' ' ' ASP . 66.7 tt0 -86.69 -26.96 24.02 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 120.619 0.247 . . . . 1.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.51 69.1 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.045 -0.724 . . . . 1.0 109.045 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -54.11 -32.07 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.521 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.67 -24.5 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' C' ' 76' ' ' GLU . 60.9 t0 -82.61 -111.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.621 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' C' ' 82' ' ' ILE . 13.5 ptm180 -106.01 -35.33 7.3 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 111.827 0.306 . . . . 1.0 111.827 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.5 tt 36.06 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.218 0.532 . . . . 1.0 111.367 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -79.81 -33.23 34.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.661 -0.976 . . . . 1.0 110.661 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' C' ' 83' ' ' GLY . 6.3 m 58.36 119.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 1.0 110.712 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -44.72 153.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.726 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -83.73 -28.01 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.753 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.58 -62.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.99 101.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' C' ' 91' ' ' GLY . 6.7 tp -155.78 -21.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.723 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -64.98 59.37 0.02 OUTLIER 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 60.57 164.67 0.2 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -84.43 -19.64 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 1.0 109.789 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.64 -50.36 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.582 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' C' ' 97' ' ' GLY . 54.2 tttp -66.93 -35.28 79.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.196 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 30.8 m-20 -40.95 -35.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.961 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 70' ' ' ILE . 29.3 mtm -73.81 -43.25 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.407 . . . . 1.0 110.159 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.484 ' O ' HG12 ' C' ' 101' ' ' VAL . . . -65.15 -37.02 93.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 40.6 t -51.3 -27.12 8.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.946 0.403 . . . . 1.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.83 -53.65 3.62 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.436 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -57.59 -22.78 47.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.685 . . . . 1.0 111.471 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.691 HG13 ' N ' ' C' ' 102' ' ' LEU . 13.5 p -74.07 -60.24 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.138 0.422 . . . . 1.0 112.138 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.691 ' N ' HG13 ' C' ' 101' ' ' VAL . 7.4 tp -55.99 -49.42 73.66 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.356 0.598 . . . . 1.0 110.911 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.612 HD12 HG12 ' A' ' 62' ' ' VAL . 3.9 pt -69.14 -18.79 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.478 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.99 -49.02 4.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.068 0.461 . . . . 1.0 110.313 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.466 HG23 HD12 ' C' ' 106' ' ' ILE . 2.3 tt -66.97 -43.32 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.422 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.466 HD12 HG23 ' C' ' 105' ' ' ILE . 1.7 mp -67.31 -35.43 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 120.106 -0.637 . . . . 1.0 110.394 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' C' ' 109' ' ' VAL . 65.9 t -79.29 -73.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.25 -0.18 . . . . 1.0 110.997 -179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' C' ' 107' ' ' VAL . . . -35.02 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.955 0.407 . . . . 1.0 111.235 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' C' ' 107' ' ' VAL . 88.4 t -87.34 -81.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.477 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 44.8 mm -45.83 -24.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.944 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 61.9 m -59.31 -51.01 71.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.087 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -57.68 -24.24 55.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.503 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.51 -59.38 5.54 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.885 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 tp -66.32 -40.52 86.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.556 ' O ' HD23 ' C' ' 115' ' ' LEU . 0.9 OUTLIER -56.54 -39.28 73.13 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.8 -43.59 65.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.426 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 29.1 m0 -52.99 -32.35 45.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 1.0 110.064 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 34.4 m -49.71 -33.78 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.25 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -46.7 85.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.551 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -156.18 141.66 17.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 117.975 -1.458 . . . . 1.0 110.972 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.13 45.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.527 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -56.84 -10.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.524 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -175.75 157.61 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -162.87 -43.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.4 4.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -55.54 -45.15 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 1.0 110.528 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -58.98 -38.4 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 68.9 ttt180 -62.83 -44.03 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.17 -50.38 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.507 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.87 -48.42 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.138 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -65.69 -35.86 81.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.437 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.43 -41.38 97.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.566 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' A' ' 16' ' ' TYR . . . -79.03 -41.32 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.608 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' SER . . . 69.07 -12.2 1.2 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' A' ' 14' ' ' ALA . 47.5 m-85 42.07 18.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.687 0.28 . . . . 1.0 110.935 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' GLY . 60.1 p -79.63 -42.39 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.549 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -59.28 -37.33 77.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.25 -36.74 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.55 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.3 mm? -77.35 -28.93 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 1.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 26.1 mmt180 -58.96 -46.83 87.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.516 ' O ' ' CE3' ' A' ' 25' ' ' TRP . . . -53.02 -41.3 64.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.454 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.31 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CE3' ' O ' ' A' ' 23' ' ' ALA . 5.2 m-90 55.44 41.94 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.561 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 2.0 pp -56.78 -12.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.373 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -62.25 -64.03 1.05 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.576 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 30' ' ' ALA . 40.9 tt0 -100.6 -52.62 3.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.012 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 1.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.113 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 26' ' ' ILE . . . -35.39 -38.07 0.09 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.819 0.342 . . . . 1.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 32' ' ' ARG . 53.2 p90 -91.02 -39.62 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.79 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.994 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 36' ' ' VAL . 44.6 tt0 -59.58 -61.0 2.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.922 -0.77 . . . . 1.0 108.922 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.5 mt-10 -37.69 -33.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.675 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -78.35 -43.56 12.67 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.178 -1.169 . . . . 1.0 110.178 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' GLN . 68.7 t -48.36 -47.01 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.55 -11.75 54.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.841 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 34' ' ' GLU . 89.1 t -93.9 -32.83 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.315 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.45 -62.85 1.37 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.952 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.2 tt -50.82 -37.84 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.281 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.96 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.239 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' VAL . 71.6 t -87.19 -47.7 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.664 0.269 . . . . 1.0 111.417 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -56.66 -47.81 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.089 0.471 . . . . 1.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -61.08 -45.52 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.099 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -54.57 -29.12 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.492 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.9 m -69.1 -42.24 76.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.002 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.52 -53.59 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.364 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.0 mp -87.1 174.6 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.289 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.56 -150.7 0.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -152.94 173.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.62 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 1.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.05 151.34 0.66 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 pt -135.96 27.03 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 p -60.72 -46.56 89.94 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.308 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.92 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.8 t -60.98 -29.16 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.619 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 tp -49.04 -39.37 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.48 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 HG12 ' C' ' 107' ' ' VAL . 96.6 mt -77.2 -57.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.441 -0.799 . . . . 1.0 109.334 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -33.53 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 77.5 p -64.47 -62.27 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.5 . . . . 1.0 109.83 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.5 t -62.79 -27.29 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.818 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ttp -57.32 -38.39 73.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -53.95 -34.68 60.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -53.66 -30.92 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.996 179.26 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' GLU . 45.8 mtt -56.08 -49.95 72.36 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.462 ' H ' HG23 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -47.03 -24.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.618 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -27.52 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.13 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 66' ' ' MET . 54.7 mt-10 -97.91 -61.72 1.35 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.921 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' SER . 54.3 mt -55.1 -61.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.79 -36.48 37.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.106 -0.637 . . . . 1.0 109.401 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -75.83 -12.44 60.17 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.742 -0.466 . . . . 1.0 109.742 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -84.66 -51.63 6.69 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.42 77.05 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.656 -0.868 . . . . 1.0 108.656 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.4 -20.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.814 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ASP . 71.1 tt0 -96.48 -32.25 12.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.901 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -60.16 -52.47 65.2 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.047 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 82' ' ' ILE . 8.1 p -56.02 -37.94 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.834 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' N ' HG13 ' A' ' 78' ' ' VAL . 89.8 t -80.71 -25.68 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.461 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 76' ' ' GLU . 34.9 t0 -83.36 -109.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.528 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -104.84 -55.12 2.38 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER 71.59 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 116.219 -0.446 . . . . 1.0 109.889 -179.013 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.54 -108.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 1.0 110.607 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.588 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.68 -51.86 7.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.589 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' LEU . 95.0 m-70 -79.75 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.655 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' A' ' 95' ' ' ASP . 28.6 mm-40 -55.19 90.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.262 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -142.69 -21.12 0.66 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.071 -179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -67.73 55.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 66.83 160.76 1.05 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.9 -23.68 41.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.168 0.508 . . . . 1.0 109.651 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' B' ' 30' ' ' ALA . . . -63.49 -51.3 66.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.47 -34.93 74.74 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.937 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.416 ' OD2' ' OE1' ' A' ' 88' ' ' GLU . 13.5 t0 -44.74 -40.06 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.35 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.86 -44.74 61.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.202 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.616 ' O ' HG22 ' A' ' 101' ' ' VAL . . . -64.67 -35.21 91.65 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.479 -1.049 . . . . 1.0 110.479 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -48.72 -30.49 5.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.695 0.283 . . . . 1.0 111.191 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.76 -49.76 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -57.18 -25.6 59.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.608 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 97' ' ' GLY . 19.2 m -70.25 -55.74 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.119 -0.633 . . . . 1.0 110.05 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 101' ' ' VAL . 4.1 mp -57.78 -49.78 75.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.963 -0.695 . . . . 1.0 109.615 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 107' ' ' VAL . 4.0 mp -73.89 -25.88 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.702 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -47.42 -43.34 23.7 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.263 -0.575 . . . . 1.0 109.723 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.16 -38.79 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 110' ' ' ILE . 76.1 mt -72.82 -64.88 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.46 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.908 HG23 ' H ' ' A' ' 108' ' ' ALA . 16.6 m -47.87 -67.15 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 120.506 -0.478 . . . . 1.0 110.737 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.908 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -34.45 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.004 0.431 . . . . 1.0 111.173 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 107' ' ' VAL . 95.7 t -93.23 -80.13 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.585 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.55 HD12 ' CG2' ' A' ' 106' ' ' ILE . 72.5 mt -46.26 -35.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.08 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 22.0 m -58.38 -52.69 64.56 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.611 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -67.51 -29.56 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.184 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.49 -59.1 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.324 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.28 -39.28 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.812 0.339 . . . . 1.0 110.233 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.5 tp -56.49 -42.22 77.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.028 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.96 -45.3 78.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -56.42 -21.08 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.961 0.41 . . . . 1.0 110.119 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.65 -27.07 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.278 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.44 -47.02 85.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.853 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -92.39 114.04 26.47 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.913 0.387 . . . . 1.0 110.57 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.744 0 CA-C-O 117.953 -1.471 . . . . 1.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.16 45.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -56.79 -10.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -175.9 157.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.3 m -162.73 -43.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.555 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.42 4.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -55.65 -45.09 77.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 1.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 54.7 p -58.95 -38.42 78.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 69.0 ttt180 -62.86 -43.98 97.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.513 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.33 -50.26 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.469 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.83 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.092 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.73 -35.94 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.343 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' B' ' 16' ' ' TYR . . . -79.13 -41.29 28.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.597 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 17' ' ' SER . . . 69.14 -12.51 1.17 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.074 -0.811 . . . . 1.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.498 ' H ' ' C ' ' B' ' 14' ' ' ALA . 47.1 m-85 42.82 17.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 1.0 110.986 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 15' ' ' GLY . 60.4 p -77.57 -42.94 33.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.733 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -59.04 -37.37 76.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.744 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.31 -36.68 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.5 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.31 -40.11 98.6 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.592 HD22 ' N ' ' B' ' 21' ' ' LEU . 3.3 mm? -77.28 -28.99 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 1.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' B' ' 25' ' ' TRP . 26.1 mmt180 -58.91 -47.05 86.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.455 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.51 ' O ' ' CE3' ' B' ' 25' ' ' TRP . . . -52.86 -41.3 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.483 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.33 69.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.537 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' O ' ' B' ' 23' ' ' ALA . 5.2 m-90 55.42 41.95 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' B' ' 30' ' ' ALA . 2.0 pp -56.82 -12.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.34 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.27 -64.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.596 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 30' ' ' ALA . 41.0 tt0 -100.5 -52.7 3.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.089 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' ALA . . . -60.28 1.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.112 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' B' ' 26' ' ' ILE . . . -35.34 -38.14 0.09 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.892 0.377 . . . . 1.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' B' ' 32' ' ' ARG . 53.2 p90 -91.05 -39.63 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.811 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 31' ' ' PHE . 15.6 tpt180 -61.24 -35.77 78.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.028 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' B' ' 36' ' ' VAL . 44.5 tt0 -59.46 -61.11 2.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' O ' HG23 ' B' ' 38' ' ' VAL . 79.7 mt-10 -37.7 -33.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.693 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 38' ' ' VAL . . . -78.41 -43.57 12.47 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' B' ' 33' ' ' GLN . 68.7 t -48.26 -47.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.8 54.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.821 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 34' ' ' GLU . 88.1 t -93.84 -32.9 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.38 -63.01 1.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 44' ' ' ILE . 6.2 tt -50.56 -38.06 42.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.289 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.246 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 38' ' ' VAL . 70.2 t -87.28 -47.74 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.621 -0.263 . . . . 1.0 111.308 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.59 -47.87 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 1.0 110.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.565 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -60.98 -45.63 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.155 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.565 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -54.39 -29.24 48.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.516 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 23.0 m -69.08 -42.24 76.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 109.991 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -74.51 -53.57 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.59 HD12 ' N ' ' B' ' 48' ' ' LEU . 8.0 mp -87.1 174.67 8.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.331 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -90.61 -150.78 0.23 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 20.1 m -152.84 173.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.28 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -170.57 -157.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.377 . . . . 1.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.37 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.97 26.93 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.075 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.403 ' O ' ' N ' ' B' ' 57' ' ' LEU . 33.5 p -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.277 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -48.24 -36.87 14.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.557 -0.535 . . . . 1.0 109.557 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.42 HG23 ' H ' ' B' ' 56' ' ' VAL . 3.8 t -61.05 -29.08 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.657 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 54' ' ' THR . 46.3 tp -49.02 -39.43 27.01 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.559 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.9 OUTLIER -59.69 -37.46 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.001 -0.741 . . . . 1.0 109.001 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.431 HD13 HG12 ' A' ' 107' ' ' VAL . 96.6 mt -77.16 -57.56 5.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.337 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -46.03 -33.53 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.35 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 77.3 p -64.41 -62.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.15 0.5 . . . . 1.0 109.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 65' ' ' VAL . 16.2 t -62.75 -27.36 42.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.921 -0.582 . . . . 1.0 109.752 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.1 ttp -57.37 -38.4 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.81 -34.78 60.22 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.053 -0.721 . . . . 1.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.542 HG12 ' O ' ' B' ' 62' ' ' VAL . 0.3 OUTLIER -53.7 -30.87 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.048 179.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.527 ' O ' ' N ' ' B' ' 69' ' ' GLU . 45.7 mtt -56.01 -50.02 72.04 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.228 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -24.3 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 119.869 -0.732 . . . . 1.0 109.578 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' B' ' 66' ' ' MET . 4.1 t -88.93 -27.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.1 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' MET . 54.7 mt-10 -97.85 -61.93 1.32 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.856 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' B' ' 73' ' ' SER . 53.5 mt -54.74 -61.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -36.42 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.165 -0.614 . . . . 1.0 109.462 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.89 -12.42 60.15 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ILE . 4.2 m -84.81 -51.51 6.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.831 -0.803 . . . . 1.0 108.831 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.53 76.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mm -57.32 -20.62 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.699 -1.137 . . . . 1.0 109.852 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 80' ' ' ASP . 71.3 tt0 -96.58 -32.2 12.37 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.81 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -60.15 -52.48 65.14 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.048 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' B' ' 82' ' ' ILE . 8.1 p -56.07 -37.82 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.909 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' B' ' 78' ' ' VAL . 89.8 t -80.83 -25.62 10.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.48 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' B' ' 76' ' ' GLU . 35.0 t0 -83.33 -109.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.528 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.83 -55.18 2.37 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.847 0.314 . . . . 1.0 111.847 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' B' ' 78' ' ' VAL . 0.2 OUTLIER 71.51 139.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.927 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.48 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.33 105.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 1.0 110.633 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 90.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -81.69 -51.81 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 95.0 m-70 -79.81 -62.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.652 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.417 ' OE1' ' OD2' ' B' ' 95' ' ' ASP . 28.7 mm-40 -55.22 90.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.534 ' O ' HD23 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -142.66 -21.2 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.095 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 78.9 p -67.69 55.36 0.06 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.983 0.421 . . . . 1.0 111.265 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 89' ' ' LEU . . . 66.74 160.78 1.03 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.85 -23.77 41.75 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . 0.409 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -63.38 -51.35 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.608 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.46 -34.96 74.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.848 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' OD2' ' OE1' ' B' ' 88' ' ' GLU . 13.5 t0 -44.61 -40.19 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.395 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 44.3 mtt -72.81 -44.74 61.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.573 -0.451 . . . . 1.0 110.236 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 101' ' ' VAL . . . -64.68 -35.17 91.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.529 -1.028 . . . . 1.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.76 -30.5 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 1.0 111.204 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 -49.68 5.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -57.17 -25.7 59.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.579 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.617 HG22 ' O ' ' B' ' 97' ' ' GLY . 19.2 m -70.16 -55.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.599 ' N ' HG23 ' B' ' 101' ' ' VAL . 4.1 mp -57.73 -49.81 75.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 119.995 -0.682 . . . . 1.0 109.664 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' B' ' 107' ' ' VAL . 4.0 mp -73.92 -25.75 20.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.787 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -47.45 -43.36 23.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.273 -0.571 . . . . 1.0 109.664 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.16 -38.88 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.552 ' CG2' HD12 ' B' ' 110' ' ' ILE . 75.3 mt -72.68 -65.0 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.531 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.915 HG23 ' H ' ' B' ' 108' ' ' ALA . 16.6 m -47.87 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.75 -178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.915 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -34.5 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.039 0.447 . . . . 1.0 111.234 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 107' ' ' VAL . 97.4 t -93.14 -80.15 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.669 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' B' ' 106' ' ' ILE . 72.4 mt -46.23 -35.82 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.039 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 22.1 m -58.38 -52.65 64.72 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.629 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.53 -29.66 69.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.149 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.43 -58.99 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.356 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 13.1 pt -60.34 -39.22 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.828 0.347 . . . . 1.0 110.28 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.54 -42.23 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 1.0 109.985 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -66.9 -45.31 78.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -56.46 -21.1 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.977 0.418 . . . . 1.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.68 -26.97 68.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.327 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.51 -47.01 85.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.855 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.38 113.99 26.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.871 0.367 . . . . 1.0 110.562 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 117.985 -1.453 . . . . 1.0 110.941 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.12 45.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.543 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -56.86 -10.33 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -175.82 157.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.4 m -162.78 -43.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.508 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' C' ' 7' ' ' PHE . . . 179.47 4.8 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.405 ' H ' ' H ' ' C' ' 6' ' ' GLY . 69.9 m-85 -55.51 -45.15 77.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 1.0 110.625 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 55.0 p -58.93 -38.31 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 69.0 ttt180 -62.87 -44.06 97.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.28 -50.24 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.86 -48.57 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.052 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -65.65 -35.98 82.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.339 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.45 -41.28 96.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.587 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.497 ' C ' ' H ' ' C' ' 16' ' ' TYR . . . -79.08 -41.2 29.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.675 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' C' ' 17' ' ' SER . . . 69.03 -12.2 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' C' ' 14' ' ' ALA . 47.7 m-85 42.13 18.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.309 . . . . 1.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.529 ' N ' ' O ' ' C' ' 15' ' ' GLY . 60.0 p -79.54 -42.42 25.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.535 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -59.31 -37.34 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.647 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -54.18 -36.8 63.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.37 -40.01 98.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.58 HD22 ' N ' ' C' ' 21' ' ' LEU . 3.3 mm? -77.3 -28.89 53.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 1.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.437 ' O ' ' CD1' ' C' ' 25' ' ' TRP . 26.1 mmt180 -58.96 -46.93 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.486 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.514 ' O ' ' CE3' ' C' ' 25' ' ' TRP . . . -52.92 -41.32 64.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.4 69.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.514 ' CE3' ' O ' ' C' ' 23' ' ' ALA . 5.2 m-90 55.46 42.0 30.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 2.0 pp -56.88 -12.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.382 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.18 -64.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' C' ' 30' ' ' ALA . 40.9 tt0 -100.44 -52.73 3.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.081 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.23 1.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.143 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' C' ' 26' ' ' ILE . . . -35.36 -38.22 0.1 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.93 0.395 . . . . 1.0 111.451 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' C' ' 32' ' ' ARG . 53.3 p90 -90.98 -39.65 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' C' ' 31' ' ' PHE . 15.7 tpt180 -61.11 -36.2 79.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.983 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' C' ' 36' ' ' VAL . 44.4 tt0 -59.17 -61.0 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.532 ' O ' HG23 ' C' ' 38' ' ' VAL . 79.6 mt-10 -37.75 -33.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.692 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' C' ' 38' ' ' VAL . . . -78.44 -43.62 12.31 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.176 -1.17 . . . . 1.0 110.176 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' C' ' 33' ' ' GLN . 58.9 t -48.24 -47.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.416 -0.514 . . . . 1.0 109.665 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -11.78 54.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.532 HG23 ' O ' ' C' ' 34' ' ' GLU . 85.9 t -93.76 -33.0 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.37 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.38 -62.86 1.37 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.458 ' O ' HG22 ' C' ' 44' ' ' ILE . 6.2 tt -50.66 -37.99 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.784 0.326 . . . . 1.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.0 -30.95 67.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.173 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' C' ' 38' ' ' VAL . 71.9 t -87.17 -47.71 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.591 0.234 . . . . 1.0 111.412 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.72 -47.75 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 1.0 110.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.562 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -61.02 -45.6 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.562 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -54.54 -29.06 49.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.567 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 22.7 m -69.1 -42.33 76.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.011 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -74.44 -53.48 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.483 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.587 HD12 ' N ' ' C' ' 48' ' ' LEU . 8.0 mp -87.19 174.6 8.51 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.328 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -90.56 -150.75 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -152.91 173.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -170.48 -157.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.08 151.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -135.88 27.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 33.8 p -60.78 -46.65 89.64 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -48.2 -36.89 14.58 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.41 ' H ' HG23 ' C' ' 56' ' ' VAL . 3.8 t -60.99 -29.15 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.617 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 tp -49.02 -39.31 26.51 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.562 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.9 OUTLIER -59.83 -37.38 79.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.974 -0.75 . . . . 1.0 108.974 179.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.413 HD13 HG12 ' B' ' 107' ' ' VAL . 96.5 mt -77.14 -57.61 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.386 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 13.9 t -46.12 -33.42 3.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.306 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 77.8 p -64.49 -62.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.522 . . . . 1.0 109.775 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.538 ' O ' HG12 ' C' ' 65' ' ' VAL . 16.3 t -62.69 -27.4 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.779 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 25.8 ttp -57.28 -38.49 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.77 -34.8 60.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.092 -0.707 . . . . 1.0 109.092 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.538 HG12 ' O ' ' C' ' 62' ' ' VAL . 0.3 OUTLIER -53.62 -30.93 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.987 179.255 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.519 ' O ' ' N ' ' C' ' 69' ' ' GLU . 45.5 mtt -56.09 -50.01 72.22 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.217 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -24.22 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.617 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' C' ' 66' ' ' MET . 4.1 t -89.02 -27.37 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.116 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' C' ' 66' ' ' MET . 54.7 mt-10 -97.95 -61.69 1.35 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.89 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' C' ' 73' ' ' SER . 54.8 mt -55.14 -61.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -36.5 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.084 -0.646 . . . . 1.0 109.432 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -75.78 -12.48 60.19 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.499 ' N ' ' O ' ' C' ' 70' ' ' ILE . 4.2 m -84.69 -51.65 6.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.793 -0.817 . . . . 1.0 108.793 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.4 77.01 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.45 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.622 -1.172 . . . . 1.0 109.777 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 80' ' ' ASP . 71.3 tt0 -96.6 -32.29 12.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.83 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -60.04 -52.53 64.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.073 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' C' ' 82' ' ' ILE . 8.0 p -56.02 -37.93 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.816 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.406 ' N ' HG13 ' C' ' 78' ' ' VAL . 90.3 t -80.77 -25.59 11.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.488 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' C' ' 76' ' ' GLU . 35.1 t0 -83.37 -109.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.494 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -104.79 -55.11 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' C' ' 78' ' ' VAL . 0.2 OUTLIER 71.54 139.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.845 -179.011 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.52 -108.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 7.7 t -172.38 105.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 1.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.2 90.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -81.81 -51.71 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' C' ' 89' ' ' LEU . 94.9 m-70 -79.88 -62.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.656 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' OD2' ' C' ' 95' ' ' ASP . 28.5 mm-40 -55.24 90.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.3 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.531 ' O ' HD23 ' C' ' 89' ' ' LEU . 0.8 OUTLIER -142.61 -21.26 0.67 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.04 -179.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -67.69 55.4 0.06 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.218 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' C' ' 89' ' ' LEU . . . 66.75 160.78 1.04 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -79.87 -23.68 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.149 0.499 . . . . 1.0 109.711 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . 0.41 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -63.37 -51.4 66.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.654 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.42 -34.98 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . 0.41 ' OD2' ' OE1' ' C' ' 88' ' ' GLU . 13.6 t0 -44.63 -40.13 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.407 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 44.4 mtt -72.77 -44.79 61.14 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.225 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.615 ' O ' HG22 ' C' ' 101' ' ' VAL . . . -64.7 -35.19 91.62 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 53.3 p -48.69 -30.5 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.279 . . . . 1.0 111.214 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.75 -49.74 5.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.743 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -57.13 -25.63 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.554 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.615 HG22 ' O ' ' C' ' 97' ' ' GLY . 19.2 m -70.25 -55.78 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.061 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.586 ' N ' HG23 ' C' ' 101' ' ' VAL . 4.1 mp -57.64 -49.85 75.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.636 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.486 ' CG2' HG13 ' C' ' 107' ' ' VAL . 4.0 mp -73.82 -26.03 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.722 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -47.38 -43.31 23.24 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.2 -0.6 . . . . 1.0 109.755 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.15 -38.82 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' C' ' 110' ' ' ILE . 76.0 mt -72.88 -64.86 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.342 -0.543 . . . . 1.0 111.456 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.877 HG23 ' H ' ' C' ' 108' ' ' ALA . 16.7 m -47.84 -67.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.786 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.877 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -34.52 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.947 0.403 . . . . 1.0 111.184 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' C' ' 107' ' ' VAL . 96.9 t -93.17 -80.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.649 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' C' ' 106' ' ' ILE . 72.5 mt -46.34 -35.76 2.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.031 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 21.8 m -58.37 -52.71 64.47 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.625 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.49 -29.6 69.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.51 -59.04 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.359 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 13.2 pt -60.26 -39.26 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.836 0.35 . . . . 1.0 110.318 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.47 -42.31 78.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 1.0 109.984 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.87 -45.33 78.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.539 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -56.35 -21.11 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 1.0 110.157 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -65.75 -26.98 67.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -62.49 -47.05 85.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.839 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -92.33 114.1 26.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.935 0.398 . . . . 1.0 110.537 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 118.014 -1.437 . . . . 1.0 110.916 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 18.0 p-10 -172.71 92.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 m120 51.24 -142.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.36 77.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.4 p -78.61 -40.96 33.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 20.83 0.21 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.3 -28.25 27.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 1.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 m -55.07 -45.23 75.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 13' ' ' ALA . 10.2 ptp180 -62.7 -37.73 87.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.624 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -61.97 -47.82 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -61.66 -49.04 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.969 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.69 -34.09 77.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.194 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ARG . . . -64.95 -44.35 89.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.411 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.23 -14.57 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' C ' ' CD1' ' A' ' 16' ' ' TYR . . . -92.19 -66.23 1.12 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 121.461 -0.4 . . . . 1.0 112.471 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 15' ' ' GLY . 26.3 p90 35.51 32.04 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.933 0.397 . . . . 1.0 111.182 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 62.6 m -54.7 -23.57 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.49 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -50.1 -40.52 46.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -68.76 -42.46 77.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.557 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.47 -5.99 79.42 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' CD1' ' HE1' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -69.53 -49.04 58.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.117 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -56.39 -42.96 78.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.45 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . -53.3 -30.43 38.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.63 ' HE1' ' CD1' ' A' ' 21' ' ' LEU . 7.0 m0 -68.86 -64.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.738 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.34 -13.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.98 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.613 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.28 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.629 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' PHE . . . -78.91 2.92 18.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.478 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.91 -21.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.593 . . . . 1.0 111.598 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' ALA . 38.8 p90 -91.28 -41.69 10.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.214 0.531 . . . . 1.0 110.213 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 18.5 ttt85 -75.99 -22.28 56.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.401 -0.818 . . . . 1.0 109.498 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.2 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.47 -0.937 . . . . 1.0 108.47 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.09 -18.94 0.95 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.34 -0.846 . . . . 1.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.6 -58.79 1.79 Allowed Glycine 0 CA--C 1.531 1.086 0 C-N-CA 121.238 -0.506 . . . . 1.0 112.681 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.1 -33.38 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 117.172 0.486 . . . . 1.0 111.082 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -55.7 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 2.0 t -37.15 -19.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 37' ' ' ALA . 10.6 mt -89.49 -48.94 6.98 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 37' ' ' ALA . 39.0 mt -70.49 -40.37 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.47 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.432 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 4.7 p -96.87 -38.5 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 120.946 -0.302 . . . . 1.0 111.591 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 44' ' ' ILE . 9.3 p -60.72 -45.14 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.211 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.592 HG23 ' N ' ' A' ' 45' ' ' ALA . 17.1 tt -65.36 -47.03 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.188 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.15 -46.6 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.667 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.43 -172.12 2.83 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.356 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.18 0.43 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.3 m -151.58 167.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.331 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 52' ' ' ALA . 31.2 t0 -164.29 -137.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . -52.3 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.564 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -154.51 20.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.799 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.92 -33.84 0.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.792 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -57.08 -40.72 77.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ILE . 67.0 t -47.69 -40.56 7.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.647 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 tp -49.24 -51.39 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.077 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.19 -43.25 70.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.254 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' MET . 12.9 mm -73.0 -55.31 13.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.208 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.9 m -49.36 -46.27 46.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.298 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -64.41 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.974 0.416 . . . . 1.0 110.467 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.3 t -58.5 -27.78 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.698 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' ILE . 31.5 ttm -60.37 -31.63 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.048 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -43.27 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.742 -0.836 . . . . 1.0 108.742 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.83 -31.44 52.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.196 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 70' ' ' ILE . 32.8 mtt -61.19 -34.85 75.74 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 120.688 -0.405 . . . . 1.0 109.978 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.6 mm -53.13 -49.02 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 m -81.8 -21.46 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.381 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -92.56 -69.96 0.72 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.969 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 73' ' ' SER . 18.8 mt -57.1 -65.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.628 -0.429 . . . . 1.0 110.183 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.32 -40.57 11.98 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.679 -178.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 2.4 t30 -58.35 -4.8 0.42 Allowed 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.507 ' H ' ' C ' ' A' ' 71' ' ' LEU . 3.5 m -90.14 -46.27 8.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.583 179.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' B' ' 75' ' ' ILE . . . -61.84 -51.38 68.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.382 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' C' ' 74' ' ' ALA . 10.3 pt -66.78 -16.61 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.271 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 72' ' ' ASN . 51.0 mm-40 -93.68 -28.66 15.84 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.582 -0.896 . . . . 1.0 108.582 177.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 82' ' ' ILE . . . -64.15 -46.26 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.387 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.94 -45.12 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 79' ' ' VAL . 3.3 p -86.83 -26.11 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.691 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' GLU . 28.9 t70 -80.24 -98.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.519 0.563 . . . . 1.0 112.519 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 15.4 mmm180 -96.69 -16.25 21.02 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.058 0.392 . . . . 1.0 112.058 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 77' ' ' ALA . 3.8 tt 34.95 96.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.009 0.433 . . . . 1.0 111.577 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 84' ' ' SER . . . -84.83 -39.04 8.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 83' ' ' GLY . 11.6 t 47.54 98.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 1.0 110.621 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.84 169.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.28 -15.05 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.46 -25.23 35.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.066 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.82 106.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.138 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 91' ' ' GLY . 7.3 tp -174.43 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.5 p -70.75 32.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.284 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.9 170.57 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.7 -21.41 25.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.085 0.469 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.62 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.61 -30.77 70.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.599 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.32 4.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.722 0.296 . . . . 1.0 111.084 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 mtt -71.93 -45.95 59.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.001 0.429 . . . . 1.0 109.976 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 101' ' ' VAL . . . -63.52 -37.02 94.13 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.0 m -48.28 -30.94 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 1.0 110.654 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.26 59.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.493 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.744 HG23 ' H ' ' A' ' 102' ' ' LEU . 20.9 m -67.05 -60.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.246 -0.582 . . . . 1.0 109.49 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.744 ' H ' HG23 ' A' ' 101' ' ' VAL . 14.1 mt -53.57 -49.97 66.57 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.165 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.754 ' O ' HG22 ' A' ' 107' ' ' VAL . 16.9 mt -64.84 -24.38 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.278 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 101' ' ' VAL . . . -41.27 -48.18 3.53 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.057 0.455 . . . . 1.0 110.601 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 109' ' ' VAL . 83.7 mt -62.44 -38.9 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.089 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 103' ' ' ILE . 15.1 mt -74.05 -62.49 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.593 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -48.47 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.903 -178.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -32.2 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.864 0.364 . . . . 1.0 111.867 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 107' ' ' VAL . 42.1 t -89.76 -77.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.084 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.73 -27.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 1.0 110.906 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 97.0 m -59.57 -47.71 84.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.19 58.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.67 -58.01 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.932 -0.307 . . . . 1.0 111.161 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 115' ' ' LEU . 3.3 tp -60.05 -43.24 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.701 -179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 114' ' ' ILE . 76.8 mt -60.81 -41.39 95.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.308 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 11.1 tp -62.44 -46.6 87.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.96 -28.0 67.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.679 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.5 m -65.16 -38.24 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.089 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 120' ' ' PHE . 1.8 p-80 -76.51 -43.81 37.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.471 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 36.5 t80 -45.49 147.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 CA-C-O 118.016 -1.435 . . . . 1.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 18.0 p-10 -172.72 92.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.29 -142.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.28 77.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -78.54 -41.06 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.537 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.25 20.98 0.21 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.3 -28.36 27.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 1.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 8.8 m -54.96 -45.3 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.783 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -62.69 -37.73 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.626 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.95 -47.88 91.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.889 -0.411 . . . . 1.0 109.889 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.64 -49.02 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.005 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.75 -33.94 77.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.37 88.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.281 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 -14.43 53.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.186 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.534 ' C ' ' CD1' ' B' ' 16' ' ' TYR . . . -92.18 -66.1 1.12 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.486 -0.387 . . . . 1.0 112.392 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' B' ' 15' ' ' GLY . 25.9 p90 35.32 31.94 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.08 0.467 . . . . 1.0 111.24 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 15' ' ' GLY . 58.8 m -53.22 -26.56 18.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.453 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -48.56 -40.32 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.805 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -68.84 -42.49 77.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 1.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.55 -5.89 79.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.641 ' CD1' ' HE1' ' B' ' 25' ' ' TRP . 0.2 OUTLIER -69.58 -48.98 58.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 1.0 110.104 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -56.38 -42.94 78.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.14 63.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.5 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 21' ' ' LEU . . . -53.27 -30.41 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.737 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.641 ' HE1' ' CD1' ' B' ' 21' ' ' LEU . 7.0 m0 -68.87 -64.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -57.24 -13.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.531 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -60.97 -61.74 2.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.574 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.86 -27.25 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.518 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' PHE . . . -78.9 2.91 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.8 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.516 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' ALA . 38.9 p90 -91.31 -41.74 10.76 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.15 0.5 . . . . 1.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' ALA . 18.4 ttt85 -75.98 -22.21 56.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.494 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.25 -64.86 0.77 Allowed 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.523 -0.917 . . . . 1.0 108.523 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.06 -18.91 0.91 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.31 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.66 -58.78 1.78 Allowed Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.241 -0.504 . . . . 1.0 112.698 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -50.05 -33.46 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 117.172 0.486 . . . . 1.0 111.042 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -55.58 -62.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.979 -0.749 . . . . 1.0 108.979 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' B' ' 42' ' ' VAL . 2.0 t -37.12 -19.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.382 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' B' ' 37' ' ' ALA . 10.6 mt -89.47 -49.0 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.811 -0.811 . . . . 1.0 108.811 178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 37' ' ' ALA . 38.2 mt -70.42 -40.33 73.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.82 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.65 62.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.402 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' B' ' 38' ' ' VAL . 4.7 p -96.79 -38.56 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.949 -0.3 . . . . 1.0 111.619 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.523 HG13 ' N ' ' B' ' 44' ' ' ILE . 9.3 p -60.73 -45.1 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.158 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.56 HG23 ' N ' ' B' ' 45' ' ' ALA . 17.2 tt -65.52 -46.89 88.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.918 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.56 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -59.76 -28.96 67.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.208 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 t -67.29 -46.52 73.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.661 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -63.67 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.132 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -93.34 -172.14 2.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.433 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -155.16 0.43 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.66 167.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 52' ' ' ALA . 31.4 t0 -164.29 -137.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' B' ' 51' ' ' ASP . . . -52.39 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.561 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -154.46 21.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.841 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -40.06 -33.76 0.24 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.934 0.397 . . . . 1.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -57.05 -40.8 77.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.796 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' B' ' 53' ' ' ILE . 67.3 t -47.65 -40.53 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.66 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.21 -51.42 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.18 -43.22 70.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.271 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' B' ' 63' ' ' MET . 12.9 mm -72.99 -55.35 13.09 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.176 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.0 m -49.38 -46.31 47.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.248 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -64.28 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 1.0 110.539 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.53 -27.76 34.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' B' ' 59' ' ' ILE . 31.5 ttm -60.4 -31.56 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.992 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 29.5 mt -56.82 -43.28 80.86 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.75 -31.55 52.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.198 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' ILE . 34.0 mtt -61.04 -35.04 75.85 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.627 -0.429 . . . . 1.0 109.969 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.95 -49.04 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 m -81.78 -21.54 10.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.359 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.43 -70.14 0.71 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.982 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 73' ' ' SER . 18.6 mt -57.02 -65.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.211 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 73' ' ' SER . 0.1 OUTLIER -46.43 -40.5 12.33 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.71 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' B' ' 76' ' ' GLU . 2.3 t30 -58.41 -4.74 0.42 Allowed 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 71' ' ' LEU . 3.5 m -90.23 -46.25 8.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.546 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.476 ' HB1' HG21 ' C' ' 75' ' ' ILE . . . -61.85 -51.31 68.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.331 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.479 HG21 ' HB1' ' A' ' 74' ' ' ALA . 10.3 pt -66.91 -16.6 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.224 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' B' ' 72' ' ' ASN . 51.3 mm-40 -93.64 -28.68 15.85 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' B' ' 82' ' ' ILE . . . -64.21 -46.21 84.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.354 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.99 -45.1 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.636 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG12 ' B' ' 79' ' ' VAL . 3.3 p -86.87 -26.03 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.705 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 76' ' ' GLU . 29.0 t70 -80.35 -98.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.526 0.565 . . . . 1.0 112.526 -178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 82' ' ' ILE . 15.4 mmm180 -96.65 -16.17 21.11 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.098 0.407 . . . . 1.0 112.098 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' B' ' 77' ' ' ALA . 3.8 tt 34.83 96.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.085 0.469 . . . . 1.0 111.488 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 84' ' ' SER . . . -84.91 -38.94 8.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 83' ' ' GLY . 11.7 t 47.57 98.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 1.0 110.655 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -60.95 169.3 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 1.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -84.34 -15.04 47.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.658 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -55.43 -25.24 35.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.061 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.87 106.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.081 -0.34 . . . . 1.0 110.081 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' B' ' 91' ' ' GLY . 6.3 tp -174.61 -51.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 91' ' ' GLY . 20.6 p -70.94 32.2 0.04 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.219 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.84 170.51 0.04 OUTLIER Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.62 -21.38 25.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.144 0.497 . . . . 1.0 110.159 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.08 -51.74 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.709 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.57 -30.8 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.566 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 91' ' ' GLY . 55.4 m-20 -43.65 -40.34 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.741 0.305 . . . . 1.0 111.187 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.8 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 1.0 110.019 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.662 ' O ' HG13 ' B' ' 101' ' ' VAL . . . -63.67 -36.98 94.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -48.18 -30.94 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.033 0.444 . . . . 1.0 110.687 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.29 -50.78 5.1 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.784 -0.451 . . . . 1.0 109.784 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.27 -25.45 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.47 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.733 HG23 ' H ' ' B' ' 102' ' ' LEU . 21.5 m -66.87 -60.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.252 -0.579 . . . . 1.0 109.549 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.733 ' H ' HG23 ' B' ' 101' ' ' VAL . 13.8 mt -53.71 -49.94 66.99 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.935 -0.706 . . . . 1.0 110.188 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' B' ' 107' ' ' VAL . 16.6 mt -64.82 -24.25 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.324 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 101' ' ' VAL . . . -41.32 -48.3 3.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.113 0.482 . . . . 1.0 110.554 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.459 ' O ' HG23 ' B' ' 109' ' ' VAL . 83.9 mt -62.29 -38.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.091 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' B' ' 103' ' ' ILE . 14.8 mt -74.04 -62.54 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.576 -0.45 . . . . 1.0 111.569 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.775 HG22 ' O ' ' B' ' 103' ' ' ILE . 0.4 OUTLIER -48.41 -75.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 120.706 -0.397 . . . . 1.0 110.857 -178.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.683 ' H ' HG23 ' B' ' 107' ' ' VAL . . . -32.23 -33.05 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.845 0.355 . . . . 1.0 111.759 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 107' ' ' VAL . 42.1 t -89.78 -77.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.019 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 21.7 mm -49.63 -27.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.325 . . . . 1.0 110.928 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 96.8 m -59.62 -47.7 84.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -75.38 -26.18 58.27 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.71 -58.03 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.489 HG23 ' N ' ' B' ' 115' ' ' LEU . 3.3 tp -59.95 -43.33 92.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.685 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.489 ' N ' HG23 ' B' ' 114' ' ' ILE . 75.8 mt -60.84 -41.38 95.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 1.0 110.315 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.437 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 11.0 tp -62.38 -46.56 88.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.233 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.0 -27.95 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.689 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 69.1 m -65.23 -38.25 89.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.075 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' B' ' 120' ' ' PHE . 1.8 p-80 -76.37 -43.95 38.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 1.0 110.523 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' B' ' 119' ' ' HIS . 36.3 t80 -45.41 147.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.695 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 118.008 -1.44 . . . . 1.0 110.938 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' C' ' 2' ' ' ASN . 17.9 p-10 -172.75 92.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 m120 51.23 -142.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.53 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.3 77.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.578 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -78.65 -41.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.537 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.27 20.96 0.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -84.28 -28.34 27.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.848 0.356 . . . . 1.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 9.0 m -55.02 -45.24 75.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.784 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -62.76 -37.69 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 mt -61.93 -47.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.952 -0.388 . . . . 1.0 109.952 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.52 -49.16 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.985 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -65.68 -34.01 77.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.258 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.4 89.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.39 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.12 -14.55 53.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.218 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' C' ' 16' ' ' TYR . . . -92.24 -66.3 1.12 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 121.484 -0.388 . . . . 1.0 112.382 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' C' ' 15' ' ' GLY . 26.4 p90 35.52 32.15 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.923 0.392 . . . . 1.0 111.125 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.46 ' N ' ' O ' ' C' ' 15' ' ' GLY . 61.5 m -54.78 -23.59 18.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.471 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -50.03 -40.53 45.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.596 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.8 -42.46 77.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.39 -6.16 79.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.636 ' CD1' ' HE1' ' C' ' 25' ' ' TRP . 0.2 OUTLIER -69.51 -48.99 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 1.0 110.137 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -56.35 -42.97 78.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.501 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.09 63.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' C' ' 21' ' ' LEU . . . -53.2 -30.45 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.758 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.636 ' HE1' ' CD1' ' C' ' 21' ' ' LEU . 7.0 m0 -68.88 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -57.26 -13.83 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.59 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -60.99 -61.7 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.623 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -130.83 -27.26 2.11 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' C' ' 31' ' ' PHE . . . -79.0 2.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.437 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.9 -21.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.516 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' C' ' 29' ' ' ALA . 38.7 p90 -91.19 -41.72 10.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.245 0.545 . . . . 1.0 110.238 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 29' ' ' ALA . 18.5 ttt85 -76.02 -22.16 56.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.507 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -58.23 -64.85 0.77 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.516 -0.92 . . . . 1.0 108.516 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.14 -18.82 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.32 -0.854 . . . . 1.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.71 -58.76 1.78 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 121.249 -0.5 . . . . 1.0 112.697 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.09 -33.41 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 117.142 0.471 . . . . 1.0 111.06 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -55.67 -62.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.981 -0.748 . . . . 1.0 108.981 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' C' ' 42' ' ' VAL . 2.0 t -37.2 -19.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.745 -0.661 . . . . 1.0 111.328 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' C' ' 37' ' ' ALA . 10.7 mt -89.53 -48.87 7.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' C' ' 37' ' ' ALA . 38.6 mt -70.52 -40.31 73.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.292 -0.867 . . . . 1.0 110.727 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.5 -25.54 62.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.486 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' C' ' 38' ' ' VAL . 4.7 p -96.74 -38.6 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.643 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.517 HG13 ' N ' ' C' ' 44' ' ' ILE . 9.5 p -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.182 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.595 HG23 ' N ' ' C' ' 45' ' ' ALA . 17.1 tt -65.38 -47.07 88.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.919 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.595 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -59.66 -29.06 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 24.2 t -67.16 -46.66 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.713 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -63.67 -38.4 90.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.104 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 29.3 mt -93.42 -172.15 2.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.372 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.18 -155.22 0.43 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.704 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 32.4 m -151.61 167.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' C' ' 52' ' ' ALA . 31.2 t0 -164.28 -137.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.654 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.492 ' N ' ' OD1' ' C' ' 51' ' ' ASP . . . -52.26 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.1 OUTLIER -154.52 21.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.795 -179.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -39.94 -33.81 0.24 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.891 0.376 . . . . 1.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -57.12 -40.72 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.846 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' C' ' 53' ' ' ILE . 67.9 t -47.63 -40.61 7.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.683 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.19 -51.4 32.98 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.15 -43.28 70.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.21 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' C' ' 63' ' ' MET . 12.9 mm -72.96 -55.33 13.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.218 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 73.7 m -49.43 -46.31 47.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -64.31 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.439 . . . . 1.0 110.512 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 45.2 t -58.55 -27.7 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.672 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.429 ' N ' ' O ' ' C' ' 59' ' ' ILE . 31.5 ttm -60.52 -31.52 70.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 109.967 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 29.7 mt -56.82 -43.21 80.81 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.675 -0.861 . . . . 1.0 108.675 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 t -67.82 -31.44 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.258 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' C' ' 70' ' ' ILE . 32.9 mtt -61.12 -34.88 75.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.654 -0.419 . . . . 1.0 110.027 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 mm -53.04 -49.11 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.413 ' H ' HG22 ' C' ' 68' ' ' VAL . 24.4 m -81.73 -21.61 10.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -92.31 -70.06 0.71 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.674 -0.411 . . . . 1.0 111.062 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' C' ' 73' ' ' SER . 18.5 mt -57.1 -65.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' C' ' 73' ' ' SER . 0.1 OUTLIER -46.36 -40.51 12.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.715 -178.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' C' ' 76' ' ' GLU . 2.3 t30 -58.52 -4.66 0.43 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.506 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.6 m -90.24 -46.28 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.536 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . 0.482 ' HB1' HG21 ' A' ' 75' ' ' ILE . . . -61.8 -51.26 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.432 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.476 HG21 ' HB1' ' B' ' 74' ' ' ALA . 10.3 pt -66.86 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.204 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' C' ' 72' ' ' ASN . 51.0 mm-40 -93.5 -28.77 15.89 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 108.662 -0.866 . . . . 1.0 108.662 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -64.11 -46.27 84.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.345 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.96 -45.12 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.65 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 p -86.78 -26.08 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.665 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' C' ' 76' ' ' GLU . 28.8 t70 -80.39 -98.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.481 0.549 . . . . 1.0 112.481 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 15.4 mmm180 -96.66 -16.24 21.06 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.05 0.389 . . . . 1.0 112.05 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' C' ' 77' ' ' ALA . 3.8 tt 34.98 96.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.024 0.44 . . . . 1.0 111.542 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 84' ' ' SER . . . -84.81 -39.01 8.96 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.427 ' O ' ' O ' ' C' ' 83' ' ' GLY . 11.9 t 47.45 98.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -60.84 169.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -84.33 -15.04 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -55.43 -25.29 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.981 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -47.89 106.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.073 -0.343 . . . . 1.0 110.073 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' C' ' 91' ' ' GLY . 7.3 tp -174.43 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' GLY . 20.4 p -70.84 32.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.257 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.85 170.53 0.04 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.664 -0.974 . . . . 1.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.65 -21.35 25.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.043 0.449 . . . . 1.0 110.146 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.17 -51.59 60.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.708 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.68 -30.75 70.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.577 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' C' ' 91' ' ' GLY . 55.3 m-20 -43.62 -40.36 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.717 0.294 . . . . 1.0 111.126 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.93 -45.84 59.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.0 109.995 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.671 ' O ' HG13 ' C' ' 101' ' ' VAL . . . -63.68 -36.97 94.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 49.4 m -48.29 -30.91 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.925 0.393 . . . . 1.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.22 -50.93 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.761 -0.459 . . . . 1.0 109.761 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.12 -25.43 58.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.548 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.726 HG23 ' H ' ' C' ' 102' ' ' LEU . 21.2 m -66.95 -60.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.269 -0.573 . . . . 1.0 109.515 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.726 ' H ' HG23 ' C' ' 101' ' ' VAL . 12.7 mt -53.86 -49.85 67.57 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.945 -0.702 . . . . 1.0 110.15 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.772 ' O ' HG22 ' C' ' 107' ' ' VAL . 16.8 mt -64.75 -24.34 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.282 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' C' ' 101' ' ' VAL . . . -41.37 -48.18 3.68 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.988 0.423 . . . . 1.0 110.521 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.463 ' O ' HG23 ' C' ' 109' ' ' VAL . 84.1 mt -62.36 -38.95 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' C' ' 103' ' ' ILE . 15.2 mt -74.06 -62.4 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 120.461 -0.495 . . . . 1.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.772 HG22 ' O ' ' C' ' 103' ' ' ILE . 0.4 OUTLIER -48.48 -75.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.865 -178.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.689 ' H ' HG23 ' C' ' 107' ' ' VAL . . . -32.25 -33.0 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.866 0.365 . . . . 1.0 111.826 -179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' C' ' 107' ' ' VAL . 42.5 t -89.85 -77.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.6 mm -49.69 -27.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.713 0.292 . . . . 1.0 110.884 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 97.0 m -59.56 -47.67 84.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.459 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -75.43 -26.13 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 12.8 t -64.73 -58.12 7.12 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.074 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.504 HG23 ' N ' ' C' ' 115' ' ' LEU . 3.4 tp -59.95 -43.32 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.615 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.504 ' N ' HG23 ' C' ' 114' ' ' ILE . 76.3 mt -60.88 -41.27 95.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 1.0 110.351 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.431 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 11.0 tp -62.42 -46.57 87.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.185 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -68.02 -27.87 66.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.696 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 69.3 m -65.28 -38.2 89.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.13 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' C' ' 120' ' ' PHE . 1.9 p-80 -76.52 -43.87 37.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.479 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' C' ' 119' ' ' HIS . 36.2 t80 -45.28 146.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.956 -1.469 . . . . 1.0 110.918 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.8 t30 55.76 62.06 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -75.74 96.1 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.14 101.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.55 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.8 m -161.17 -41.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.0 -48.17 10.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.07 -31.14 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.328 . . . . 1.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 m -58.67 -36.49 74.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 98.4 mtt180 -63.21 -37.67 88.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.572 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.683 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.8 mp -68.58 -49.61 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.969 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.38 -49.42 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.279 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -65.95 -38.02 87.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.542 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.53 -33.49 73.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.595 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.49 -14.79 58.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.9 -50.57 32.09 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 4.3 p90 -98.34 34.28 2.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.8 0.333 . . . . 1.0 110.5 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -62.95 -30.43 71.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.599 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -64.29 -46.18 84.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.43 -39.22 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.13 -27.55 46.32 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.06 -45.14 43.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 1.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -69.13 -29.82 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -28.17 63.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.02 -37.87 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.691 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.44 -63.66 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 pt -60.62 -16.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.19 42.49 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.67 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.08 0.467 . . . . 1.0 110.763 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 5.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.758 -0.655 . . . . 1.0 111.168 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.509 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 32' ' ' ARG . 55.8 p90 -90.43 -45.38 9.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.019 0.437 . . . . 1.0 110.901 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.548 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 27.6 ttm-85 -63.69 -27.53 69.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.771 -0.649 . . . . 1.0 109.98 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 35' ' ' GLY . 27.4 mt-30 -59.61 -60.99 2.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.36 -26.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.0 111.25 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -94.68 -45.93 3.06 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.518 -0.633 . . . . 1.0 111.518 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -44.17 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 122.669 -0.313 . . . . 1.0 111.06 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -61.12 -70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 1.0 110.22 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.3 m -40.41 -19.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.623 -0.717 . . . . 1.0 111.019 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.1 tt -86.72 -55.79 3.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' ALA . 5.4 tp -59.77 -33.54 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.033 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.07 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.92 -1.036 . . . . 1.0 110.593 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' VAL . 46.1 t -91.26 -40.22 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.03 -48.8 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.657 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.08 -46.5 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.93 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.57 74.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.26 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -60.01 -51.76 68.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.52 -32.87 65.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.242 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.288 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.92 110.13 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 1.0 110.643 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.77 37.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.951 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 52' ' ' ALA . 27.9 p30 -106.21 157.71 17.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.911 0.386 . . . . 1.0 110.135 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -60.63 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.193 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.569 HG21 HG23 ' B' ' 53' ' ' ILE . 8.5 tt -176.69 -11.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.26 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' LEU . 20.9 m -43.32 -46.87 6.57 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.715 0.293 . . . . 1.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -39.72 19.16 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 59' ' ' ILE . 24.7 t -60.48 -29.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.622 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' THR . 39.4 tp -47.56 -43.84 25.63 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.14 -38.29 68.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 63' ' ' MET . 68.1 mt -77.76 -54.97 11.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.029 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 m -44.08 -39.9 4.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.68 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 p -64.0 -45.72 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.765 -0.828 . . . . 1.0 108.765 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ILE . 99.4 t -69.66 -26.99 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.05 -0.977 . . . . 1.0 110.412 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' ILE . 23.1 ttt -57.34 -38.56 74.31 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.7 -35.9 81.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.55 -41.09 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.284 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.2 mtt -54.25 -36.14 63.26 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.9 -24.7 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 120.069 -0.653 . . . . 1.0 109.284 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.16 -27.88 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.773 0.321 . . . . 1.0 111.236 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.79 -57.2 2.35 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.124 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' SER . 45.4 mm -59.54 -58.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 73' ' ' SER . 3.9 tt -46.09 -43.62 14.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.89 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.47 -9.82 0.35 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.382 0.611 . . . . 1.0 109.835 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' ILE . 3.5 t -89.61 -49.11 6.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.264 -0.88 . . . . 1.0 109.624 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.21 70.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.949 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -63.94 -15.51 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.461 -0.79 . . . . 1.0 109.67 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 80' ' ' ASP . 58.5 tt0 -93.48 -29.3 15.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.898 -1.149 . . . . 1.0 107.898 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -62.71 -51.05 68.68 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.047 -0.978 . . . . 1.0 110.776 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 78' ' ' VAL . 5.6 m -54.89 -41.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.658 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 79' ' ' VAL . 7.6 m -84.69 -26.23 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 120.333 -0.547 . . . . 1.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 76' ' ' GLU . 7.5 m-20 -82.48 -106.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.879 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -104.69 -54.91 2.43 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.051 0.389 . . . . 1.0 112.051 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.51 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.03 -99.32 2.55 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.3 m 50.57 42.45 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 1.0 110.693 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -57.56 -73.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.147 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 54.8 t80 -85.38 -15.0 44.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.011 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 89' ' ' LEU . 7.0 t60 -54.88 -62.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.005 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.48 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 87' ' ' HIS . 8.2 tp -172.03 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.9 m -71.51 19.32 0.06 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.868 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 55.98 169.29 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.475 -1.05 . . . . 1.0 110.475 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -88.01 -21.37 24.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.164 0.507 . . . . 1.0 109.874 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.7 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.649 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.56 -27.7 67.17 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.35 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.072 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.4 mtt -75.03 -47.08 30.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -64.88 -36.99 93.75 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.167 -0.773 . . . . 1.0 111.167 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 m -48.82 -33.82 11.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.77 0.319 . . . . 1.0 110.774 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.97 -52.95 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.23 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.307 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 97' ' ' GLY . 16.8 t -67.59 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.55 -47.24 66.88 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.16 0.505 . . . . 1.0 110.064 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 107' ' ' VAL . 13.2 mm -73.4 -21.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.48 4.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.397 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 109' ' ' VAL . 12.9 tt -68.84 -40.01 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.855 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' ILE . 96.4 mt -71.89 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.848 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.618 HG12 ' N ' ' A' ' 108' ' ' ALA . 1.8 t -49.26 -72.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.828 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.618 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -33.73 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.831 0.348 . . . . 1.0 111.741 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' VAL . 43.8 t -93.66 -75.35 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.957 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.6 mp -45.69 -42.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.603 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.48 -41.01 88.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.549 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -73.39 -28.62 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 1.0 110.215 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.83 -57.82 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.828 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 115' ' ' LEU . 10.4 tp -63.11 -40.5 89.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.76 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.4 tp -56.81 -31.77 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -71.68 -40.28 69.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.976 179.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -59.62 -22.01 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.2 -32.51 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -154.9 143.48 20.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.395 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.953 -1.47 . . . . 1.0 110.927 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.68 62.13 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.524 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -75.76 96.15 3.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.607 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.17 101.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.0 m -161.1 -41.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.05 -48.15 10.25 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -54.11 -30.98 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 1.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 11.4 m -58.78 -36.46 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.637 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 98.5 mtt180 -63.24 -37.71 88.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.686 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.8 mp -68.53 -49.62 63.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.95 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.38 -49.35 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.281 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -65.96 -38.14 87.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.47 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.46 -33.51 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.544 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.65 -14.73 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.809 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.92 -50.5 32.44 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.521 ' CD1' ' N ' ' B' ' 16' ' ' TYR . 4.3 p90 -98.4 34.31 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.78 0.324 . . . . 1.0 110.476 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -63.08 -30.3 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -64.31 -46.2 84.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.61 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.38 -39.12 92.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -27.66 46.89 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.8 -45.55 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 1.0 110.487 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -68.82 -30.01 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.03 -28.19 63.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.694 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.96 89.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.34 -63.66 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -60.64 -16.76 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.719 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.16 42.48 1.36 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.376 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' B' ' 30' ' ' ALA . 70.0 tt0 179.71 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.041 0.448 . . . . 1.0 110.72 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.2 5.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -38.43 -31.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.482 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' B' ' 32' ' ' ARG . 56.1 p90 -90.43 -45.44 8.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.976 0.417 . . . . 1.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.555 ' N ' ' CD2' ' B' ' 31' ' ' PHE . 27.5 ttm-85 -63.57 -27.68 69.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' B' ' 35' ' ' GLY . 27.4 mt-30 -59.46 -61.04 2.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -40.51 -26.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -94.75 -45.88 3.05 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 111.515 -0.634 . . . . 1.0 111.515 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -56.08 -44.13 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 122.752 -0.263 . . . . 1.0 111.029 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -61.23 -70.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 1.0 110.08 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.547 ' O ' HG23 ' B' ' 42' ' ' VAL . 18.3 m -40.51 -18.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.01 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.1 tt -86.84 -55.74 3.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 37' ' ' ALA . 5.4 tp -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.034 -0.984 . . . . 1.0 110.048 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.8 -23.05 64.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.588 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 38' ' ' VAL . 45.6 t -91.26 -40.18 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.04 -48.86 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.61 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.03 -46.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.877 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.6 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.99 -51.72 68.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -56.56 -32.9 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.244 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.83 128.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.248 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.97 110.14 3.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.73 37.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.992 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 52' ' ' ALA . 27.7 p30 -106.16 157.77 17.32 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.958 0.408 . . . . 1.0 110.099 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -60.7 -125.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.242 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.569 HG23 HG21 ' A' ' 53' ' ' ILE . 8.5 tt -176.67 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.651 -0.25 . . . . 1.0 111.287 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 57' ' ' LEU . 20.8 m -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.334 -0.099 0 O-C-N 122.192 -0.317 . . . . 1.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.73 -39.74 18.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.949 0.404 . . . . 1.0 109.968 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 59' ' ' ILE . 24.5 t -60.48 -29.41 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.624 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 54' ' ' THR . 38.9 tp -47.46 -43.78 24.52 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.881 -0.414 . . . . 1.0 109.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 62' ' ' VAL . 18.9 mt -55.22 -38.33 68.29 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' B' ' 63' ' ' MET . 66.2 mt -77.74 -54.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.081 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.5 m -44.06 -39.94 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.629 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.6 p -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.668 -0.864 . . . . 1.0 108.668 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' B' ' 59' ' ' ILE . 97.7 t -69.49 -27.04 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.119 -0.946 . . . . 1.0 110.463 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.467 ' N ' ' O ' ' B' ' 59' ' ' ILE . 23.4 ttt -57.41 -38.56 74.52 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.58 -35.96 81.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.53 -41.11 87.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.313 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.1 mtt -54.28 -36.17 63.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.472 -0.566 . . . . 1.0 109.472 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.86 -24.71 30.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.044 -0.662 . . . . 1.0 109.317 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.18 -27.84 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 120.747 0.308 . . . . 1.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -96.86 -57.05 2.38 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.139 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 73' ' ' SER . 44.8 mm -59.67 -58.79 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' B' ' 73' ' ' SER . 3.9 tt -46.15 -43.73 15.27 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.43 -0.508 . . . . 1.0 109.766 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.81 0.33 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.315 0.578 . . . . 1.0 109.95 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.5 ' N ' ' O ' ' B' ' 70' ' ' ILE . 3.6 t -89.66 -49.06 6.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.178 -0.919 . . . . 1.0 109.608 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.1 -51.34 69.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.84 -15.45 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.729 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 80' ' ' ASP . 58.1 tt0 -93.5 -29.26 15.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.665 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 m -54.85 -41.19 56.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.553 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 8.0 m -84.56 -26.27 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.517 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 76' ' ' GLU . 7.5 m-20 -82.42 -106.57 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.097 -0.641 . . . . 1.0 110.89 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -104.63 -54.95 2.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.48 140.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.04 -99.3 2.55 Favored Glycine 0 N--CA 1.467 0.713 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 65.3 m 50.56 42.41 26.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 1.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.54 -73.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.113 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 54.7 t80 -85.31 -14.97 44.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 89' ' ' LEU . 7.0 t60 -54.82 -62.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.021 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -47.58 89.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.482 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 87' ' ' HIS . 8.2 tp -172.03 -51.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.3 m -71.48 19.37 0.06 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 111.025 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.0 169.26 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.506 -1.038 . . . . 1.0 110.506 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' B' ' 92' ' ' ARG . 29.7 ptt-85 -88.03 -21.28 24.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 1.0 109.892 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.93 -51.64 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.673 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -67.7 -27.54 66.92 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -43.55 -40.89 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.069 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.11 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.581 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -64.93 -37.01 93.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 21.7 m -48.77 -33.9 11.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.721 0.296 . . . . 1.0 110.744 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.93 -52.94 4.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.7 -22.15 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.307 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 97' ' ' GLY . 16.9 t -67.62 -58.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.427 -0.582 . . . . 1.0 109.427 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.36 -47.29 66.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.187 0.518 . . . . 1.0 110.116 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.543 HG22 HG23 ' B' ' 107' ' ' VAL . 13.1 mm -73.38 -21.34 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.656 -0.417 . . . . 1.0 111.172 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.42 -45.42 4.36 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.51 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 109' ' ' VAL . 12.9 tt -68.79 -40.07 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 109.874 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' B' ' 110' ' ' ILE . 96.4 mt -71.87 -63.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.73 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 108' ' ' ALA . 1.8 t -49.33 -72.76 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.233 -0.439 . . . . 1.0 109.91 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.6 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -33.86 -34.65 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 111.721 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 107' ' ' VAL . 43.7 t -93.61 -75.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.042 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.519 HD12 ' N ' ' B' ' 110' ' ' ILE . 1.6 mp -45.71 -42.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.613 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.56 -41.02 89.19 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.611 -0.436 . . . . 1.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.33 -28.58 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.997 0.427 . . . . 1.0 110.25 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.88 -57.84 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.763 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.472 HG23 ' N ' ' B' ' 115' ' ' LEU . 10.4 tp -63.09 -40.41 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.806 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.472 ' N ' HG23 ' B' ' 114' ' ' ILE . 10.4 tp -56.91 -31.66 65.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 1.0 109.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.556 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -71.6 -40.34 69.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.953 179.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -59.76 -21.88 61.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.357 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . 0.402 ' OG ' ' OD2' ' C' ' 51' ' ' ASP . 7.1 m -70.27 -32.43 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.36 -41.99 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -155.0 143.47 20.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.407 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.756 0 CA-C-O 117.936 -1.48 . . . . 1.0 110.97 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.426 -0.583 . . . . 1.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 54.9 t30 55.7 62.13 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.566 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -75.78 96.19 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -53.23 101.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.476 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.3 m -161.11 -41.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.03 -48.18 10.24 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -54.04 -30.97 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 1.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.7 m -58.82 -36.48 74.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 98.5 mtt180 -63.23 -37.66 88.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.666 HD12 ' N ' ' C' ' 10' ' ' ILE . 1.8 mp -68.65 -49.47 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -59.51 -49.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.201 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.5 -33.5 73.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.62 -14.69 58.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -49.9 -50.56 32.12 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' C' ' 16' ' ' TYR . 4.3 p90 -98.33 34.19 2.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.81 0.338 . . . . 1.0 110.492 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -63.05 -30.29 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -64.43 -46.13 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.563 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.42 -39.1 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.28 -27.52 47.15 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 tp -74.89 -45.47 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 1.0 110.502 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -68.89 -29.9 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 -28.16 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.663 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.94 89.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.609 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -61.28 -63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.62 -16.66 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.76 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -108.23 42.5 1.36 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.363 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 179.61 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.734 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.26 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.219 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.35 -31.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.527 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' C' ' 32' ' ' ARG . 55.7 p90 -90.45 -45.52 8.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.973 0.416 . . . . 1.0 110.821 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.554 ' N ' ' CD2' ' C' ' 31' ' ' PHE . 27.4 ttm-85 -63.52 -27.71 69.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.96 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' C' ' 35' ' ' GLY . 27.5 mt-30 -59.52 -61.06 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.16 -0.682 . . . . 1.0 109.16 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -40.39 -26.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.305 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -94.74 -46.01 3.02 Favored Glycine 0 CA--C 1.532 1.114 0 N-CA-C 111.399 -0.68 . . . . 1.0 111.399 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 32' ' ' ARG . 55.9 t -56.02 -44.14 77.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 O-C-N 122.688 -0.301 . . . . 1.0 111.042 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -61.13 -70.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 1.0 110.138 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.539 ' O ' HG23 ' C' ' 42' ' ' VAL . 18.0 m -40.41 -19.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.698 . . . . 1.0 110.999 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.1 tt -86.79 -55.82 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' C' ' 37' ' ' ALA . 5.4 tp -59.59 -33.67 71.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.028 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.91 -23.05 64.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.966 -1.015 . . . . 1.0 110.539 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' C' ' 38' ' ' VAL . 45.9 t -91.25 -40.13 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.964 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.94 -48.95 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 1.0 110.58 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.05 -46.49 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.908 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.57 74.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 13.0 t -59.99 -51.82 68.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -56.35 -32.96 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.292 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.5 tp -172.9 128.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.274 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -153.89 110.11 3.29 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.72 37.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.984 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' C' ' 52' ' ' ALA . 27.8 p30 -106.14 157.75 17.32 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.902 0.382 . . . . 1.0 110.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -60.71 -125.48 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.169 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.566 HG23 HG21 ' B' ' 53' ' ' ILE . 8.5 tt -176.71 -12.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.549 -0.296 . . . . 1.0 111.232 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 20.9 m -43.34 -46.89 6.63 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-O 120.727 0.299 . . . . 1.0 111.226 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -39.77 18.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.917 0.389 . . . . 1.0 109.977 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' C' ' 59' ' ' ILE . 24.4 t -60.5 -29.33 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.59 -43.79 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.86 -0.422 . . . . 1.0 109.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.13 -38.37 68.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' C' ' 63' ' ' MET . 67.9 mt -77.68 -55.07 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.637 -0.71 . . . . 1.0 110.035 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 18.1 m -43.97 -40.02 4.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.661 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 16.9 p -63.97 -45.63 88.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' C' ' 59' ' ' ILE . 98.5 t -69.67 -27.01 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.079 -0.964 . . . . 1.0 110.453 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.447 ' N ' ' O ' ' C' ' 59' ' ' ILE . 23.1 ttt -57.3 -38.73 74.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.46 -36.02 81.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.57 -40.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.323 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.482 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.1 mtt -54.37 -36.18 63.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 73.4 mt -59.78 -24.73 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 120.056 -0.658 . . . . 1.0 109.327 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.12 -27.89 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.709 0.29 . . . . 1.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -96.82 -57.09 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.172 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' C' ' 66' ' ' MET . 45.0 mm -59.59 -58.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' C' ' 73' ' ' SER . 3.9 tt -46.07 -43.84 14.96 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.4 -0.52 . . . . 1.0 109.771 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -54.37 -9.79 0.33 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.356 0.598 . . . . 1.0 109.915 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.477 ' H ' ' C ' ' C' ' 71' ' ' LEU . 3.5 t -89.65 -49.12 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.34 69.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.991 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.86 -15.53 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.705 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' C' ' 80' ' ' ASP . 57.8 tt0 -93.48 -29.28 15.63 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.884 -1.154 . . . . 1.0 107.884 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -62.78 -51.1 68.43 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.999 -1.001 . . . . 1.0 110.704 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.405 HG22 ' H ' ' C' ' 78' ' ' VAL . 5.4 m -54.89 -41.1 55.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.606 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 m -84.65 -26.22 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 120.29 -0.564 . . . . 1.0 110.469 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' C' ' 76' ' ' GLU . 7.5 m-20 -82.44 -106.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.106 -0.638 . . . . 1.0 110.912 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -104.56 -54.99 2.42 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.093 0.405 . . . . 1.0 112.093 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 64.53 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.01 -99.3 2.54 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 64.1 m 50.63 42.41 26.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.771 0.319 . . . . 1.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -57.61 -73.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.082 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 55.0 t80 -85.41 -14.98 44.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' C' ' 89' ' ' LEU . 7.0 t60 -54.86 -62.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.001 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -47.52 89.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.937 -0.305 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' C' ' 87' ' ' HIS . 8.3 tp -172.07 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.973 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -71.46 19.36 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.934 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 55.94 169.29 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.53 -1.028 . . . . 1.0 110.53 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -88.01 -21.42 24.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.035 0.445 . . . . 1.0 109.817 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.82 -51.7 60.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.668 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -67.68 -27.63 67.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -43.41 -41.0 4.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.067 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 7.3 mtt -75.0 -47.04 31.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.578 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -64.92 -36.94 93.68 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 21.6 m -48.91 -33.79 11.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.315 . . . . 1.0 110.725 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.96 -52.98 4.33 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.788 -0.449 . . . . 1.0 109.788 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.64 -22.11 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 97' ' ' GLY . 16.8 t -67.72 -58.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.362 -0.607 . . . . 1.0 109.362 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 -47.36 66.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 120.418 -0.513 . . . . 1.0 110.112 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.546 HG22 HG23 ' C' ' 107' ' ' VAL . 13.1 mm -73.28 -21.41 18.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.24 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.34 -45.43 4.27 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.595 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.439 ' O ' HG23 ' C' ' 109' ' ' VAL . 12.8 tt -68.77 -40.06 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.919 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' C' ' 110' ' ' ILE . 96.4 mt -71.96 -63.2 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.61 HG12 ' N ' ' C' ' 108' ' ' ALA . 1.8 t -49.3 -72.84 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.61 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -33.83 -34.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.814 0.34 . . . . 1.0 111.745 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' C' ' 107' ' ' VAL . 43.7 t -93.57 -75.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.041 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 110' ' ' ILE . 1.6 mp -45.79 -41.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.562 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 27.0 m -59.55 -41.06 89.24 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.477 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -73.34 -28.53 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.257 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.94 -57.75 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.802 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.475 HG23 ' N ' ' C' ' 115' ' ' LEU . 10.4 tp -63.15 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.806 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.475 ' N ' HG23 ' C' ' 114' ' ' ILE . 10.4 tp -56.9 -31.76 65.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.534 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -71.57 -40.34 70.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.019 179.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -59.72 -22.01 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.343 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -70.1 -32.46 70.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.603 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.48 -41.92 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -154.99 143.5 20.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.988 -1.451 . . . . 1.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -75.3 -53.91 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -76.0 136.97 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.567 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -161.43 129.8 4.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.57 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.1 42.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.11 -34.74 76.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 1.0 110.518 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.86 -36.45 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.629 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 77.9 ttt180 -59.94 -42.02 93.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -67.12 -50.21 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.417 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.95 -48.49 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.59 -33.48 76.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.436 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -61.09 -41.21 96.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.533 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.61 -41.45 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.81 63.62 4.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.42 10.92 6.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.795 0.331 . . . . 1.0 110.47 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.02 -32.35 61.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.636 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -58.4 -44.66 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -67.29 -37.67 83.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.618 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -5.13 85.63 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tp -70.74 -49.34 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 1.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -70.34 -27.18 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.16 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -70.37 -48.33 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.787 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -40.42 -44.0 1.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.98 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 101' ' ' VAL . 41.2 pt -83.43 -28.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.355 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ALA . 50.6 t30 -107.56 42.81 1.27 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.352 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' ALA . 64.9 tt0 -179.69 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.548 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -63.38 4.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.221 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -37.01 -38.89 0.2 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.86 0.362 . . . . 1.0 111.166 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -64.83 -51.67 60.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 1.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ALA . 72.5 mtt180 -58.67 -38.17 77.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.344 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -60.05 -8.86 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.445 . . . . 1.0 110.637 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 38' ' ' VAL . 27.8 mm-40 -107.95 -45.28 4.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.867 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -53.76 20.65 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 108.829 -1.708 . . . . 1.0 108.829 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.2 t -56.82 -39.4 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.31 -7.03 0.49 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.755 0.312 . . . . 1.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' B' ' 64' ' ' LEU . 3.1 t -100.47 -16.52 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.571 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.655 0.264 . . . . 1.0 110.843 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.1 mp -58.9 -42.98 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.87 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.03 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.447 0.536 . . . . 1.0 112.447 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 38' ' ' VAL . 5.0 m -94.23 -38.15 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 112.089 0.403 . . . . 1.0 112.089 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 39' ' ' LEU . 54.1 t -59.8 -46.31 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.695 0.283 . . . . 1.0 110.84 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.1 -46.29 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 1.0 110.851 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.7 69.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.726 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.8 t -63.05 -56.49 16.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.146 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.92 -56.81 16.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.93 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' C' ' 119' ' ' HIS . 13.2 mt -86.27 -154.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.218 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.23 -161.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 51' ' ' ASP . 7.3 p -157.2 156.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.109 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 50' ' ' VAL . 18.5 m-20 -158.24 -141.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' ASP . . . -43.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.446 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.867 ' N ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -140.3 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.375 -179.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 p -43.92 -27.7 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 1.0 110.057 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.14 92.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.059 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' ILE . 24.7 t -48.25 -40.53 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -49.29 -47.95 46.48 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LEU . 7.6 mp -55.69 -41.12 73.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.673 ' N ' HD12 ' A' ' 59' ' ' ILE . 1.5 mp -76.87 -55.54 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.141 0.495 . . . . 1.0 109.808 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -48.25 -47.88 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.83 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 p -64.69 -64.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 1.0 111.447 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' LEU . 5.0 m -55.48 -24.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.411 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.8 tpp -55.55 -31.28 62.01 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.158 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB2' HG22 ' C' ' 38' ' ' VAL . 4.1 mm? -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' C' ' 38' ' ' VAL . 2.1 t -66.01 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 108.8 -0.815 . . . . 1.0 108.8 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' ILE . 36.4 mtt -66.99 -35.12 79.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.118 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 45.0 mt -60.13 -34.63 57.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.61 -0.436 . . . . 1.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 72' ' ' ASN . 3.4 p -90.69 -21.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 121.823 -0.548 . . . . 1.0 110.269 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.52 -60.91 1.66 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.619 0.247 . . . . 1.0 111.439 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' SER . 17.0 mt -65.32 -58.55 6.53 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.379 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -48.74 -42.82 36.51 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.44 -0.504 . . . . 1.0 109.784 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 29.4 m-20 -64.41 -8.05 12.02 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.436 0.636 . . . . 1.0 109.439 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -91.25 -51.3 5.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.923 179.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.64 64.78 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.764 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.08 -36.25 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 119.686 -0.806 . . . . 1.0 109.208 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ASP . 9.6 tm-20 -85.42 -29.36 24.43 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.942 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.526 ' HB2' ' NH1' ' C' ' 92' ' ' ARG . . . -58.84 -55.02 40.56 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.607 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.89 -30.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.38 -24.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.511 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' GLU . 41.2 t0 -83.17 -111.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.907 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 82' ' ' ILE . 99.6 mtt180 -104.77 -47.46 4.04 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.888 0.375 . . . . 1.0 110.961 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.787 ' H ' HD12 ' A' ' 82' ' ' ILE . 2.0 mp -39.48 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.761 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.504 ' N ' HG22 ' A' ' 82' ' ' ILE . . . 123.82 40.81 0.44 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.6 p -141.26 80.95 1.76 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.96 0.41 . . . . 1.0 110.392 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -90.36 116.38 28.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.316 179.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -83.72 -26.3 29.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.57 ' CD2' ' H ' ' A' ' 88' ' ' GLU . 19.1 p-80 -84.23 -51.47 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.762 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.57 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 52.4 tt0 -42.37 137.42 2.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.644 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.81 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.108 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -86.53 46.83 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.197 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.36 166.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.287 -0.725 . . . . 1.0 111.287 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NH1' ' HB2' ' B' ' 77' ' ' ALA . 0.1 OUTLIER -85.92 -21.47 27.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 179.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.67 73.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.306 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' GLY . 14.8 ttpp -66.77 -31.82 72.71 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.515 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -42.04 -35.54 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.734 -0.469 . . . . 1.0 109.734 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.906 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.99 -39.03 94.66 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.93 -29.14 3.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.793 0.33 . . . . 1.0 110.908 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.3 -47.18 8.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.138 -0.69 . . . . 1.0 109.138 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.687 ' O ' ' HB2' ' A' ' 104' ' ' ALA . . . -56.7 -19.95 19.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.17 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 97' ' ' GLY . 36.3 t -72.01 -57.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.563 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 102' ' ' LEU . 3.8 mm? -71.38 -29.23 64.7 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.067 0.461 . . . . 1.0 110.935 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -28.95 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.286 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -56.51 -41.3 76.46 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.656 0.243 . . . . 1.0 111.656 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.6 pt -61.04 -48.13 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.413 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.72 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.151 -0.62 . . . . 1.0 111.116 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 108' ' ' ALA . 3.0 t -81.14 -74.29 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.209 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 107' ' ' VAL . . . -37.83 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.465 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 107' ' ' VAL . 27.1 t -94.88 -83.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.323 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 mm -46.14 -32.49 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 111.627 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.01 -54.1 39.68 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.2 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.26 -24.58 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.38 -57.53 8.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.78 -46.02 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.936 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.0 mp -57.37 -38.69 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.84 -34.38 73.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.877 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -76.25 -25.08 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.121 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -69.88 -37.15 75.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 115' ' ' LEU . 4.7 m170 -66.46 -46.61 75.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.652 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.7 147.24 45.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.744 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.096 -1.391 . . . . 1.0 110.931 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -75.27 -53.93 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -76.11 136.98 39.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 27.2 m -161.42 129.9 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.6 -32.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.11 42.85 0.03 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -62.05 -34.72 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 1.0 110.569 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.88 -36.52 82.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.573 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 77.7 ttt180 -59.91 -42.01 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.538 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.7 mt -67.17 -50.19 65.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.464 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.89 -48.56 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.221 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.58 -33.48 76.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.426 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -61.17 -41.11 96.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.469 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.43 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.477 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.8 63.56 4.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.174 -0.77 . . . . 1.0 111.174 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -128.4 11.03 6.3 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.787 0.327 . . . . 1.0 110.432 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.11 -32.31 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.672 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -58.48 -44.59 89.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -67.26 -37.68 83.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.548 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 -5.3 85.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.4 -49.68 46.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 1.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -70.21 -27.22 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.573 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.78 -28.32 65.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.642 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -70.22 -48.48 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.799 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -40.31 -44.03 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.058 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.612 HG21 HG22 ' A' ' 101' ' ' VAL . 41.3 pt -83.42 -28.57 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.369 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 24' ' ' ALA . 50.7 t30 -107.57 42.69 1.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 30' ' ' ALA . 65.0 tt0 -179.62 -86.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' B' ' 32' ' ' ARG . . . -63.43 4.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.2 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -37.05 -38.81 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.826 0.346 . . . . 1.0 111.187 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -64.96 -51.65 60.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.073 0.463 . . . . 1.0 109.787 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 29' ' ' ALA . 72.4 mtt180 -58.62 -38.2 77.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.364 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.99 -8.84 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.03 0.443 . . . . 1.0 110.67 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.493 ' O ' HG23 ' B' ' 38' ' ' VAL . 27.8 mm-40 -107.97 -45.33 4.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 109.89 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.07 -53.79 20.71 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.792 -1.723 . . . . 1.0 108.792 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' B' ' 32' ' ' ARG . 48.1 t -56.7 -39.59 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.12 -7.07 0.45 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.83 0.347 . . . . 1.0 110.607 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 34' ' ' GLU . 3.1 t -100.48 -16.48 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 39' ' ' LEU . 11.0 mp -88.29 -56.46 3.31 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.631 0.253 . . . . 1.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.54 HD12 ' N ' ' B' ' 40' ' ' LEU . 8.1 mp -58.92 -42.9 90.79 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.898 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.96 85.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.487 0.551 . . . . 1.0 112.487 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.453 HG22 ' O ' ' B' ' 38' ' ' VAL . 5.0 m -94.32 -38.24 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.096 0.406 . . . . 1.0 112.096 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 39' ' ' LEU . 55.0 t -59.75 -46.3 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.992 -0.283 . . . . 1.0 110.834 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.1 -46.27 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.814 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.82 -39.64 69.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.78 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 32.5 t -63.03 -56.45 16.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.163 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.94 -56.77 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.953 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 119' ' ' HIS . 13.3 mt -86.3 -154.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.189 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -90.36 -161.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.455 HG22 ' N ' ' B' ' 51' ' ' ASP . 7.3 p -157.12 156.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.455 ' N ' HG22 ' B' ' 50' ' ' VAL . 18.3 m-20 -158.27 -141.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.774 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 51' ' ' ASP . . . -42.92 166.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.489 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.878 ' N ' HD13 ' B' ' 53' ' ' ILE . 0.1 OUTLIER -140.33 24.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.347 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 75.0 p -43.98 -27.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 1.0 110.084 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.11 -40.15 92.68 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.74 -0.663 . . . . 1.0 110.047 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' B' ' 53' ' ' ILE . 24.8 t -48.17 -40.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.77 -0.372 . . . . 1.0 110.424 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -49.51 -47.83 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.286 -0.566 . . . . 1.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.553 HD12 ' N ' ' B' ' 58' ' ' LEU . 7.6 mp -55.7 -41.1 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.077 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' B' ' 59' ' ' ILE . 1.5 mp -76.86 -55.59 10.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.09 0.471 . . . . 1.0 109.789 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.94 34.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.75 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 41.8 p -64.72 -64.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 58' ' ' LEU . 5.0 m -55.43 -24.33 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.436 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 36.2 tpp -55.49 -31.98 62.46 Favored 'General case' 0 CA--C 1.523 -0.079 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.498 ' HB2' HG22 ' A' ' 38' ' ' VAL . 4.2 mm? -61.29 -41.55 97.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.68 -0.859 . . . . 1.0 108.68 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.466 HG23 HG11 ' A' ' 38' ' ' VAL . 2.1 t -65.99 -36.24 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 108.862 -0.792 . . . . 1.0 108.862 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.477 ' O ' ' N ' ' B' ' 70' ' ' ILE . 36.5 mtt -66.86 -35.03 79.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.099 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' B' ' 71' ' ' LEU . 47.1 mt -60.3 -34.63 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.622 -0.431 . . . . 1.0 109.932 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' B' ' 72' ' ' ASN . 3.4 p -90.63 -21.27 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.733 -0.604 . . . . 1.0 110.307 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.57 -61.02 1.63 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.605 0.24 . . . . 1.0 111.456 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 73' ' ' SER . 17.1 mt -65.19 -58.56 6.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.944 -0.302 . . . . 1.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' B' ' 67' ' ' ILE . 0.8 OUTLIER -48.73 -42.8 36.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.351 -0.54 . . . . 1.0 109.861 -179.32 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' B' ' 68' ' ' VAL . 29.6 m-20 -64.36 -8.09 11.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.456 0.646 . . . . 1.0 109.483 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.549 ' N ' ' O ' ' B' ' 70' ' ' ILE . 0.7 OUTLIER -91.21 -51.35 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.874 179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.41 -52.63 64.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.758 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 pt -50.09 -36.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.231 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 80' ' ' ASP . 9.6 tm-20 -85.37 -29.41 24.48 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.027 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.53 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . . . -58.76 -55.06 39.95 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.617 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -53.84 -30.31 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.013 -0.736 . . . . 1.0 109.013 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 83.6 t -82.41 -24.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.192 -0.913 . . . . 1.0 109.514 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' GLU . 41.2 t0 -83.21 -111.57 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.869 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 82' ' ' ILE . 99.6 mtt180 -104.78 -47.42 4.05 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.868 0.366 . . . . 1.0 110.986 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.808 ' H ' HD12 ' B' ' 82' ' ' ILE . 2.0 mp -39.51 162.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.728 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.514 ' N ' HG22 ' B' ' 82' ' ' ILE . . . 123.69 40.97 0.44 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 88.0 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.951 0.405 . . . . 1.0 110.363 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' B' ' 85' ' ' GLU . 0.8 OUTLIER -90.39 116.35 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.258 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.7 -26.27 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.385 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' B' ' 88' ' ' GLU . 19.0 p-80 -84.29 -51.36 7.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.788 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.566 ' H ' ' CD2' ' B' ' 87' ' ' HIS . 52.4 tt0 -42.5 137.46 2.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.633 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tp -175.79 -31.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.37 46.75 1.38 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.286 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 167.06 0.42 Allowed Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.533 ' NH1' ' HB2' ' C' ' 77' ' ' ALA . 0.1 OUTLIER -85.91 -21.45 27.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 1.0 109.703 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.0 -49.68 73.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 97' ' ' GLY . 14.8 ttpp -66.71 -31.9 72.85 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.563 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -41.96 -35.54 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 50.6 mtt -73.45 -45.66 52.98 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 1.0 109.694 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.888 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.98 -39.11 94.71 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -48.03 -29.03 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.937 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.41 -47.14 8.21 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' B' ' 104' ' ' ALA . . . -56.67 -20.0 19.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.17 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 97' ' ' GLY . 35.6 t -71.95 -57.91 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.673 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.572 HD22 ' N ' ' B' ' 102' ' ' LEU . 3.8 mm? -71.4 -29.2 64.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.092 0.473 . . . . 1.0 110.906 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.84 -29.03 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' B' ' 100' ' ' ALA . . . -56.45 -41.33 76.29 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.691 0.256 . . . . 1.0 111.691 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 4.6 pt -61.01 -48.25 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.14 -0.624 . . . . 1.0 110.371 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 pt -75.41 -30.69 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 120.226 -0.59 . . . . 1.0 111.209 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.55 HG12 ' N ' ' B' ' 108' ' ' ALA . 3.0 t -81.27 -74.25 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.231 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.55 ' N ' HG12 ' B' ' 107' ' ' VAL . . . -37.88 -27.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.422 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 107' ' ' VAL . 27.8 t -94.92 -82.89 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.292 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 22.1 mm -46.3 -32.44 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.868 -0.333 . . . . 1.0 111.555 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.03 -54.07 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -55.32 -24.55 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.37 -57.55 8.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.563 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 11.0 mm -64.83 -45.99 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.857 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' B' ' 119' ' ' HIS . 10.0 mp -57.41 -38.65 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 35.3 tp -59.86 -34.34 73.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.903 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.28 -25.06 54.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.134 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 31.2 t -69.98 -36.99 75.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' B' ' 115' ' ' LEU . 4.6 m170 -66.5 -46.5 76.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.703 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.83 147.19 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 118.013 -1.437 . . . . 1.0 110.928 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -75.33 -53.93 7.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -76.11 137.03 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 27.1 m -161.41 129.93 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.538 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -175.66 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.592 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.15 42.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -62.12 -34.76 76.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 1.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.9 -36.46 82.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 77.7 ttt180 -59.95 -41.97 93.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.529 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.22 -50.15 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.82 -48.58 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.228 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -65.71 -33.32 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.428 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -61.22 -41.17 96.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.4 31.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.528 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.77 63.65 4.62 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.162 -0.775 . . . . 1.0 111.162 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -128.43 10.93 6.27 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.749 0.309 . . . . 1.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -55.07 -32.26 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.676 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -58.45 -44.62 89.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -67.32 -37.57 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.63 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.59 -5.1 85.83 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -70.66 -49.38 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -70.36 -27.16 64.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.544 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.15 65.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' C' ' 27' ' ' ASN . . . -70.37 -48.27 57.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -40.35 -43.98 1.86 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.625 HG21 HG22 ' B' ' 101' ' ' VAL . 41.2 pt -83.5 -28.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' C' ' 24' ' ' ALA . 50.9 t30 -107.55 42.74 1.28 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.41 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' C' ' 30' ' ' ALA . 64.8 tt0 -179.68 -86.09 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.538 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' C' ' 32' ' ' ARG . . . -63.4 4.39 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -37.04 -38.87 0.21 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.891 0.377 . . . . 1.0 111.12 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -64.91 -51.74 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.12 0.486 . . . . 1.0 109.766 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' C' ' 29' ' ' ALA . 72.5 mtt180 -58.48 -38.42 77.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.329 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.87 -8.87 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 1.0 110.658 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.478 ' O ' HG23 ' C' ' 38' ' ' VAL . 27.7 mm-40 -107.97 -45.27 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.87 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.29 -53.49 21.37 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 108.798 -1.721 . . . . 1.0 108.798 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -56.86 -39.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.995 -0.372 . . . . 1.0 109.995 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.3 -7.12 0.51 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.823 0.344 . . . . 1.0 110.664 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.483 HG11 HG23 ' A' ' 65' ' ' VAL . 2.7 t -100.61 -16.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.377 177.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.486 ' N ' HD12 ' C' ' 39' ' ' LEU . 11.0 mp -87.98 -56.55 3.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 120.65 0.262 . . . . 1.0 110.954 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.55 ' N ' HD12 ' C' ' 40' ' ' LEU . 8.1 mp -58.99 -42.89 91.11 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.91 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.1 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.429 0.529 . . . . 1.0 112.429 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' C' ' 38' ' ' VAL . 4.9 m -94.21 -38.19 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.106 0.41 . . . . 1.0 112.106 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 39' ' ' LEU . 55.1 t -59.81 -46.25 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.883 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 94.2 mt -61.1 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.863 -0.335 . . . . 1.0 110.833 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.83 -39.65 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.698 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 31.8 t -63.05 -56.45 16.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.124 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -55.98 -56.72 17.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 1.0 109.99 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' B' ' 119' ' ' HIS . 13.4 mt -86.34 -154.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.206 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.32 -161.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . 0.457 HG22 ' N ' ' C' ' 51' ' ' ASP . 7.2 p -157.09 156.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.018 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.457 ' N ' HG22 ' C' ' 50' ' ' VAL . 18.3 m-20 -158.16 -141.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.74 0.305 . . . . 1.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' C' ' 51' ' ' ASP . . . -43.09 166.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.871 HD13 ' N ' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -140.37 24.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.398 -179.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 75.9 p -43.92 -27.72 0.38 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.145 0.497 . . . . 1.0 110.124 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.04 -40.08 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.082 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' C' ' 53' ' ' ILE . 24.9 t -48.13 -40.51 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.442 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 tp -49.39 -47.91 47.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.182 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.554 ' N ' HD12 ' C' ' 58' ' ' LEU . 7.6 mp -55.7 -41.0 73.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.087 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.676 HD12 ' N ' ' C' ' 59' ' ' ILE . 1.5 mp -76.93 -55.59 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.199 0.523 . . . . 1.0 109.747 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -48.16 -47.98 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.729 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 35.1 p -64.74 -64.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 1.0 111.39 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.478 HG22 ' O ' ' C' ' 58' ' ' LEU . 5.0 m -55.46 -24.36 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.423 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . . . . . . . . . 36.5 tpp -55.48 -31.87 62.36 Favored 'General case' 0 CA--C 1.522 -0.12 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.491 ' HB2' HG22 ' B' ' 38' ' ' VAL . 4.2 mm? -61.3 -41.6 97.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.483 HG23 HG11 ' B' ' 38' ' ' VAL . 2.1 t -66.02 -36.22 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.88 -0.785 . . . . 1.0 108.88 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.479 ' O ' ' N ' ' C' ' 70' ' ' ILE . 36.5 mtt -66.88 -34.93 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.12 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' C' ' 71' ' ' LEU . 46.8 mt -60.41 -34.53 58.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 C-N-CA 120.512 -0.475 . . . . 1.0 109.982 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.418 ' O ' ' CG ' ' C' ' 72' ' ' ASN . 3.4 p -90.71 -21.17 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.75 -0.593 . . . . 1.0 110.281 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -93.68 -60.89 1.66 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.533 0.206 . . . . 1.0 111.404 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' C' ' 73' ' ' SER . 17.1 mt -65.41 -58.51 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' C' ' 67' ' ' ILE . 0.8 OUTLIER -48.83 -42.75 37.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.35 -0.54 . . . . 1.0 109.848 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' C' ' 68' ' ' VAL . 29.5 m-20 -64.29 -8.2 12.03 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.439 0.637 . . . . 1.0 109.43 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.525 ' N ' ' O ' ' C' ' 70' ' ' ILE . 0.7 OUTLIER -91.18 -51.26 5.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.924 -1.035 . . . . 1.0 109.979 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.56 65.11 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.08 -0.509 . . . . 1.0 109.72 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.415 HG21 HD13 ' C' ' 75' ' ' ILE . 26.6 pt -50.2 -36.26 12.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.747 -0.781 . . . . 1.0 109.185 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' C' ' 80' ' ' ASP . 9.6 tm-20 -85.34 -29.37 24.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.533 ' HB2' ' NH1' ' B' ' 92' ' ' ARG . . . -58.88 -54.91 41.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.632 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 p -53.97 -30.3 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.993 -0.743 . . . . 1.0 108.993 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.35 -24.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.552 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' C' ' 76' ' ' GLU . 41.0 t0 -83.19 -111.52 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.901 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 82' ' ' ILE . 99.6 mtt180 -104.85 -47.45 4.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.837 0.351 . . . . 1.0 110.886 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.804 HD12 ' H ' ' C' ' 82' ' ' ILE . 2.0 mp -39.51 161.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.71 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.493 ' N ' HG22 ' C' ' 82' ' ' ILE . . . 123.85 40.86 0.44 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.189 -1.164 . . . . 1.0 110.189 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -141.28 80.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.917 0.389 . . . . 1.0 110.341 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' C' ' 85' ' ' GLU . 0.8 OUTLIER -90.35 116.34 28.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.337 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -83.64 -26.37 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.405 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.567 ' CD2' ' H ' ' C' ' 88' ' ' GLU . 19.0 p-80 -84.27 -51.41 7.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.78 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.567 ' H ' ' CD2' ' C' ' 87' ' ' HIS . 52.6 tt0 -42.28 137.36 2.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.686 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tp -175.81 -31.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -86.52 46.83 1.39 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.271 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.4 166.98 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.263 -0.735 . . . . 1.0 111.263 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -85.87 -21.59 27.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.69 73.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -66.81 -31.84 72.74 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.541 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -42.04 -35.47 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 50.3 mtt -73.5 -45.65 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.887 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.89 -39.08 94.84 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -47.98 -29.09 3.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.759 0.314 . . . . 1.0 110.948 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.39 -47.17 8.2 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' C' ' 104' ' ' ALA . . . -56.59 -20.09 19.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.145 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.887 HG23 ' O ' ' C' ' 97' ' ' GLY . 35.4 t -71.95 -57.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.642 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . 0.577 HD22 ' N ' ' C' ' 102' ' ' LEU . 3.8 mm? -71.37 -29.19 64.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.088 0.47 . . . . 1.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.83 -29.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' C' ' 100' ' ' ALA . . . -56.53 -41.22 76.42 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.704 0.261 . . . . 1.0 111.704 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 4.6 pt -61.15 -48.07 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.352 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 13.7 pt -75.53 -30.66 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.218 -0.593 . . . . 1.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.541 HG12 ' N ' ' C' ' 108' ' ' ALA . 3.0 t -81.22 -74.3 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.217 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.541 ' N ' HG12 ' C' ' 107' ' ' VAL . . . -37.88 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.45 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' C' ' 107' ' ' VAL . 27.9 t -94.92 -83.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.297 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 21.9 mm -46.22 -32.39 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.662 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -64.04 -54.03 40.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -55.28 -24.65 29.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.29 -57.58 8.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.91 -45.95 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' C' ' 119' ' ' HIS . 10.0 mp -57.4 -38.71 74.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 34.9 tp -59.86 -34.29 72.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.918 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -76.33 -25.01 54.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.133 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 30.6 t -69.9 -37.13 75.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.5 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' C' ' 115' ' ' LEU . 4.6 m170 -66.34 -46.7 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.701 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -72.66 147.19 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.683 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.97 -1.461 . . . . 1.0 110.872 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.49 -6.27 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' THR . 6.4 p30 -164.94 55.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 m -56.98 85.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' ASN . 28.6 m -162.21 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.92 -11.61 83.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -60.04 -28.52 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 1.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 9' ' ' ARG . 15.3 t -59.74 -39.26 84.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.5 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 8' ' ' THR . 14.8 tpt180 -69.25 -40.51 77.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.96 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mm -61.4 -50.14 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.02 -41.07 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.115 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.16 -35.92 81.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.12 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.24 73.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -22.92 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' SER . . . 60.17 9.9 13.23 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 38.71 26.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.332 . . . . 1.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' GLY . 20.6 m -60.48 -40.93 93.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.605 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -50.64 -37.52 41.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -66.94 -36.83 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.14 -28.92 55.12 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.57 -37.62 88.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 1.0 110.554 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.672 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 3.8 mmp_? -68.14 -39.76 82.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.07 -35.23 69.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.05 -30.42 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.293 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -49.53 67.26 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.367 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -65.55 -21.69 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 1.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.54 42.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.49 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 29.8 tt0 -177.77 -90.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.16 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.91 4.48 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.548 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.46 -33.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.768 0.318 . . . . 1.0 111.189 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.4 -49.83 6.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.035 0.445 . . . . 1.0 110.781 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' NH2' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -63.26 -24.66 67.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.042 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 35' ' ' GLY . 8.3 tp-100 -59.49 -57.48 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.66 -25.64 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.605 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' GLN . . . -91.57 -48.62 3.17 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.67 -34.04 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.802 -0.234 . . . . 1.0 111.02 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -63.31 -72.05 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.761 0.315 . . . . 1.0 110.335 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' VAL . 3.8 p -39.64 -17.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.263 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 37' ' ' ALA . 6.9 tp -90.36 -47.07 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.552 -0.907 . . . . 1.0 108.552 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 37' ' ' ALA . 83.8 mt -69.02 -34.72 75.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.0 110.526 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.86 -61.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.53 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' VAL . 34.3 m -47.76 -38.15 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.933 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 39' ' ' LEU . 16.4 t -55.27 -43.48 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.81 -47.6 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.172 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.39 -39.17 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.362 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' C ' ' N ' ' A' ' 48' ' ' LEU . 41.2 t -60.72 -48.47 81.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.76 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -49.37 -17.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.194 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' CYS . 0.8 OUTLIER 179.6 93.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.86 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.5 90.88 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.7 t -152.02 92.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.38 144.92 34.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.161 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.16 -76.34 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.597 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 56' ' ' VAL . 21.5 tt -173.2 -36.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 53' ' ' ILE . 60.8 m -34.58 -29.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.709 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.7 tmt_? -79.4 -48.24 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.412 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 53' ' ' ILE . 83.7 t -71.39 -37.68 65.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.172 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 tt -47.82 -49.79 28.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.6 mm? -47.1 -45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.566 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -49.53 44.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.45 -55.13 14.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.959 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 62' ' ' VAL . 24.8 p -63.96 -58.29 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 1.0 110.384 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 58' ' ' LEU . 64.1 t -49.95 -29.05 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.578 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.549 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.55 -32.09 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.733 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 67' ' ' ILE . 33.0 mt -68.57 -47.71 66.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.063 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' VAL . 9.8 t -66.23 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.414 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 70' ' ' ILE . 43.1 mtt -66.71 -33.21 75.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 64' ' ' LEU . 1.2 tp -47.66 -39.95 7.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.218 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 65' ' ' VAL . 4.5 p -89.89 -20.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.937 -0.305 . . . . 1.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -92.15 -62.35 1.43 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 121.115 -0.234 . . . . 1.0 111.345 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' SER . 38.8 mt -64.67 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.297 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.15 -43.49 31.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.31 -0.556 . . . . 1.0 109.982 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -64.23 -10.34 22.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.234 0.54 . . . . 1.0 109.718 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t -89.43 -52.48 5.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.338 -0.846 . . . . 1.0 108.855 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.06 70.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.491 -0.777 . . . . 1.0 109.121 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.89 -38.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.276 -0.875 . . . . 1.0 108.948 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ASP . 30.2 mm-40 -85.55 -23.85 27.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.959 -0.296 . . . . 1.0 110.422 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -53.47 57.99 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.454 -0.499 . . . . 1.0 109.91 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.66 -32.01 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.087 -0.708 . . . . 1.0 109.087 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.76 -24.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.041 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' GLU . 55.0 m-20 -79.56 -106.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.161 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 98.5 mtt180 -104.01 -57.62 2.01 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.949 -0.3 . . . . 1.0 110.767 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.826 HG23 ' H ' ' A' ' 83' ' ' GLY . 2.0 tp 161.54 -63.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 124.016 0.823 . . . . 1.0 109.668 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 82' ' ' ILE . . . 58.96 -143.03 45.93 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.66 -0.976 . . . . 1.0 110.66 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 24.1 p 47.18 -176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 1.0 110.951 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -50.32 115.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 63.0 t80 -83.78 -14.5 51.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' O ' ' O ' ' A' ' 88' ' ' GLU . 70.8 m-70 -55.29 -63.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.093 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 87' ' ' HIS . 34.1 tt0 46.87 104.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.735 0.302 . . . . 1.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 91' ' ' GLY . 2.0 pp -177.93 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.102 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 91' ' ' GLY . 17.8 m -72.45 28.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.304 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 53.28 169.28 0.03 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.83 -27.97 26.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 1.0 110.102 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.21 74.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.73 -29.14 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.689 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.07 -44.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.313 . . . . 1.0 111.185 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 35.0 mmm -72.46 -45.21 60.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.738 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -65.38 -39.49 95.86 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.563 -0.615 . . . . 1.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.75 -31.29 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.774 -0.251 . . . . 1.0 111.104 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.3 -48.45 8.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.675 -0.491 . . . . 1.0 109.675 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -65.08 -21.21 66.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.615 . . . . 1.0 111.494 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 97' ' ' GLY . 6.2 t -64.1 -66.23 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.786 0.327 . . . . 1.0 110.286 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.1 mt -52.67 -45.6 66.83 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.704 0.764 . . . . 1.0 109.997 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 106' ' ' ILE . 21.0 mt -70.66 -24.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.399 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -38.1 -49.61 1.32 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.074 0.464 . . . . 1.0 110.83 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 82.2 mt -66.16 -38.6 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.851 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.8 mt -75.5 -61.94 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 120.492 -0.483 . . . . 1.0 111.613 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.95 HG13 ' H ' ' A' ' 108' ' ' ALA . 7.5 p -50.13 -75.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.359 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.95 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -35.35 -30.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.896 0.332 . . . . 1.0 111.896 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 107' ' ' VAL . 77.7 t -84.86 -76.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.33 -23.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.085 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 74.5 m -58.56 -52.89 63.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.966 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.5 ' CD2' ' O ' ' A' ' 108' ' ' ALA . 4.6 m0 -76.48 -26.95 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.833 -0.347 . . . . 1.0 111.489 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.75 -59.15 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.468 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.18 -42.16 93.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.543 -0.298 . . . . 1.0 111.473 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.83 -30.98 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.55 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 7.8 tp -65.85 -38.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.24 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.77 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 1.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.04 -34.17 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.543 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 120' ' ' PHE . 0.0 OUTLIER -64.17 -17.92 63.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.833 -179.236 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.559 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 52.8 t80 51.84 175.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.32 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.498 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.705 0 CA-C-O 118.039 -1.423 . . . . 1.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.44 -6.28 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.539 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' B' ' 5' ' ' THR . 6.4 p30 -164.95 55.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.0 m -57.0 85.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.449 ' N ' ' O ' ' B' ' 3' ' ' ASN . 28.5 m -162.18 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.59 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.85 -11.54 83.49 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -60.1 -28.49 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 110.385 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.464 HG23 ' N ' ' B' ' 9' ' ' ARG . 15.4 t -59.63 -39.33 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.513 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.464 ' N ' HG23 ' B' ' 8' ' ' THR . 14.8 tpt180 -69.16 -40.58 78.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.919 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.4 mm -61.44 -50.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.804 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 9.1 pt -71.98 -41.06 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.161 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.05 -35.92 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.24 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.17 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -22.79 66.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.635 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' B' ' 17' ' ' SER . . . 60.05 9.91 12.74 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 38.79 26.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.831 0.348 . . . . 1.0 111.017 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 15' ' ' GLY . 20.4 m -60.39 -40.92 92.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.634 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -50.58 -37.55 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -66.99 -36.88 83.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.04 -28.94 54.76 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.6 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 1.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.671 ' HE ' ' N ' ' B' ' 22' ' ' ARG . 3.8 mmp_? -68.0 -39.77 83.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.547 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.04 -35.34 69.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.07 -30.38 67.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.328 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.03 -49.65 66.97 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.585 -0.279 . . . . 1.0 110.364 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -65.36 -21.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.0 110.673 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -108.57 42.53 1.38 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.518 ' O ' ' NH2' ' B' ' 32' ' ' ARG . 29.7 tt0 -177.72 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.059 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.77 4.43 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.587 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.68 -33.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.782 0.325 . . . . 1.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.42 -49.77 7.0 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.063 0.459 . . . . 1.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -63.39 -24.47 67.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.001 -179.349 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -41.75 -25.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 33' ' ' GLN . . . -91.56 -48.56 3.19 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.69 -34.07 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 122.797 -0.237 . . . . 1.0 111.05 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -63.26 -72.03 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 1.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.584 ' O ' HG22 ' B' ' 42' ' ' VAL . 3.7 p -39.73 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.298 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' B' ' 37' ' ' ALA . 6.9 tp -90.39 -47.11 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' B' ' 37' ' ' ALA . 83.6 mt -68.95 -34.71 75.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.98 -1.009 . . . . 1.0 110.505 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.87 -61.48 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.452 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 38' ' ' VAL . 34.4 m -47.73 -38.07 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.983 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 39' ' ' LEU . 16.3 t -55.3 -43.48 71.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.443 -0.577 . . . . 1.0 109.443 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.92 -47.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.171 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.19 66.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' B' ' 48' ' ' LEU . 41.1 t -60.68 -48.42 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.808 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -49.44 -17.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.169 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 46' ' ' CYS . 0.8 OUTLIER 179.69 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.821 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.51 90.98 3.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 97.9 t -152.12 92.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.26 144.9 34.93 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.215 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -76.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.609 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 56' ' ' VAL . 21.4 tt -173.09 -36.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' B' ' 53' ' ' ILE . 61.0 m -34.59 -28.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.696 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 53' ' ' ILE . 1.7 tmt_? -79.44 -48.33 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.4 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' B' ' 53' ' ' ILE . 84.4 t -71.35 -37.6 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.188 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' B' ' 57' ' ' LEU . 1.3 tt -47.91 -49.76 28.93 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.519 ' O ' HG23 ' B' ' 62' ' ' VAL . 2.6 mm? -46.98 -45.49 20.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.574 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.65 -49.59 45.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.357 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 19.8 m -49.51 -55.06 14.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.936 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.448 ' OG ' ' N ' ' B' ' 62' ' ' VAL . 24.6 p -63.93 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 1.0 110.344 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 58' ' ' LEU . 65.5 t -49.92 -29.01 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' C' ' 63' ' ' MET . 30.5 ttp -58.58 -32.08 68.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.467 -0.493 . . . . 1.0 109.729 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.426 ' O ' HG22 ' B' ' 67' ' ' ILE . 32.7 mt -68.56 -47.8 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.019 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' HG12 ' B' ' 68' ' ' VAL . 10.3 t -66.18 -37.53 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.438 ' O ' ' N ' ' B' ' 70' ' ' ILE . 42.9 mtt -66.78 -33.19 75.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.426 HG22 ' O ' ' B' ' 64' ' ' LEU . 1.2 tp -47.65 -39.95 7.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.152 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 65' ' ' VAL . 4.5 p -89.89 -21.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 121.092 -0.243 . . . . 1.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.13 -62.4 1.42 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 121.142 -0.223 . . . . 1.0 111.374 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' B' ' 73' ' ' SER . 38.3 mt -64.61 -59.23 4.5 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.298 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.23 -43.24 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.186 -0.606 . . . . 1.0 110.085 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -64.33 -10.33 23.58 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.264 0.554 . . . . 1.0 109.734 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.517 ' N ' ' O ' ' B' ' 70' ' ' ILE . 1.3 t -89.43 -52.45 5.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.304 -0.862 . . . . 1.0 108.875 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.12 70.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.127 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.88 -38.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 1.0 109.04 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.82 27.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.519 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.54 57.17 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.942 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -54.57 -32.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.128 -0.693 . . . . 1.0 109.128 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -81.81 -23.98 9.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.083 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 76' ' ' GLU . 54.8 m-20 -79.54 -106.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.124 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.412 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 98.5 mtt180 -103.97 -57.68 2.0 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.793 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.784 HG23 ' H ' ' B' ' 83' ' ' GLY . 1.9 tp 161.57 -63.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.035 0.834 . . . . 1.0 109.665 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.784 ' H ' HG23 ' B' ' 82' ' ' ILE . . . 58.86 -142.88 45.8 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.411 ' O ' ' O ' ' B' ' 83' ' ' GLY . 23.7 p 47.02 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 1.0 110.917 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' B' ' 86' ' ' TYR . 62.9 t80 -83.76 -14.61 51.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' B' ' 88' ' ' GLU . 71.0 m-70 -55.29 -63.24 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.096 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' B' ' 87' ' ' HIS . 34.1 tt0 46.89 104.34 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.681 0.277 . . . . 1.0 110.827 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 91' ' ' GLY . 2.0 pp -178.01 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.043 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.434 ' N ' HD12 ' B' ' 89' ' ' LEU . 17.6 m -72.47 28.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.314 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 53.2 169.32 0.03 OUTLIER Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -84.8 -27.98 26.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.07 0.462 . . . . 1.0 110.065 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.22 -50.16 74.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.001 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -66.75 -29.18 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.658 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -39.96 -45.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 1.0 111.212 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 35.4 mmm -72.43 -45.26 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.501 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -65.35 -39.48 95.9 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.597 -0.601 . . . . 1.0 111.597 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.76 -31.31 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.714 0.293 . . . . 1.0 111.121 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.22 -48.47 8.01 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 104' ' ' ALA . . . -65.09 -21.22 66.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.54 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 97' ' ' GLY . 6.2 t -64.18 -66.22 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.56 -45.74 66.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.752 0.787 . . . . 1.0 109.984 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 106' ' ' ILE . 20.6 mt -70.62 -24.31 25.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 100' ' ' ALA . . . -38.28 -49.45 1.39 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.968 0.413 . . . . 1.0 110.807 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' B' ' 109' ' ' VAL . 82.8 mt -66.24 -38.66 82.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.805 -0.634 . . . . 1.0 109.77 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.39 -62.07 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.548 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 108' ' ' ALA . 7.5 p -50.09 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.351 -178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.945 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -35.51 -30.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' B' ' 107' ' ' VAL . 77.9 t -84.96 -76.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.862 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.27 -23.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.06 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 75.3 m -58.56 -52.89 63.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.986 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . 0.501 ' CD2' ' O ' ' B' ' 108' ' ' ALA . 4.6 m0 -76.37 -27.06 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.54 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 8.3 m -64.77 -59.11 4.6 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.553 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.07 -42.32 94.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.453 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.201 -0.666 . . . . 1.0 109.201 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 6.6 tp -66.01 -38.5 88.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.254 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . 0.433 ' CD1' ' N ' ' B' ' 117' ' ' TRP . 36.6 m0 -61.9 -22.73 65.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 1.0 110.374 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -79.95 -34.2 38.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' B' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.97 63.99 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.684 -0.406 . . . . 1.0 110.87 -179.235 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.558 ' N ' ' ND1' ' B' ' 119' ' ' HIS . 52.8 t80 51.89 175.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.261 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.497 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 118.005 -1.442 . . . . 1.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.35 -6.39 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' C' ' 5' ' ' THR . 6.4 p30 -164.94 55.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -57.02 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.453 ' N ' ' O ' ' C' ' 3' ' ' ASN . 28.4 m -162.14 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.683 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.02 -11.44 83.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -60.08 -28.42 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.369 . . . . 1.0 110.416 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.468 HG23 ' N ' ' C' ' 9' ' ' ARG . 15.4 t -59.75 -39.28 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.468 ' N ' HG23 ' C' ' 8' ' ' THR . 14.8 tpt180 -69.22 -40.53 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.873 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mm -61.47 -50.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.06 -41.02 67.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.161 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -66.09 -35.91 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.203 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.61 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.91 66.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.556 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' C' ' 17' ' ' SER . . . 60.16 9.9 13.22 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 38.69 26.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.978 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 15' ' ' GLY . 20.3 m -60.6 -40.83 93.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -50.59 -37.53 40.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -66.93 -36.9 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.535 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.1 -28.79 54.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.68 -37.63 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.763 0.315 . . . . 1.0 110.457 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.673 ' HE ' ' N ' ' C' ' 22' ' ' ARG . 3.8 mmp_? -68.12 -39.84 82.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.444 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.23 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.674 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.29 67.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -49.63 66.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.342 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 pt -65.41 -21.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 1.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -108.53 42.58 1.37 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.462 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.522 ' O ' ' NH2' ' C' ' 32' ' ' ARG . 29.8 tt0 -177.7 -90.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.881 0.372 . . . . 1.0 111.122 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.83 4.56 3.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.633 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -41.72 -33.1 0.45 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.736 0.303 . . . . 1.0 111.151 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -87.35 -49.94 6.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.088 0.47 . . . . 1.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -63.3 -24.49 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.05 -179.272 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' C' ' 35' ' ' GLY . 8.3 tp-100 -59.56 -57.55 12.47 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -41.5 -25.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.608 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' C' ' 33' ' ' GLN . . . -91.4 -48.64 3.21 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -54.59 -34.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 122.809 -0.23 . . . . 1.0 111.026 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -63.26 -72.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 1.0 110.33 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.585 ' O ' HG22 ' C' ' 42' ' ' VAL . 3.8 p -39.69 -17.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.725 -0.671 . . . . 1.0 111.363 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' C' ' 37' ' ' ALA . 6.1 tp -90.5 -46.97 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' C' ' 37' ' ' ALA . 83.7 mt -68.95 -34.81 75.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.051 -0.977 . . . . 1.0 110.504 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.85 -61.37 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.528 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.585 HG22 ' O ' ' C' ' 38' ' ' VAL . 34.4 m -47.84 -38.11 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.92 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 39' ' ' LEU . 16.7 t -55.19 -43.57 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.76 -47.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 1.0 110.2 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.17 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.34 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' C' ' 48' ' ' LEU . 40.8 t -60.58 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.855 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 61.9 t-105 -49.43 -17.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.178 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' C' ' 46' ' ' CYS . 0.8 OUTLIER 179.67 93.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.854 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.52 90.97 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -152.02 92.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.35 144.92 34.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.27 -76.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' C' ' 56' ' ' VAL . 21.4 tt -173.23 -36.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . 0.425 ' N ' HG23 ' C' ' 53' ' ' ILE . 60.3 m -34.68 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.814 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' C' ' 53' ' ' ILE . 1.6 tmt_? -79.47 -48.24 14.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.382 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' C' ' 53' ' ' ILE . 83.3 t -71.42 -37.72 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.133 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.504 ' O ' HD23 ' C' ' 57' ' ' LEU . 1.3 tt -47.74 -49.82 27.12 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.638 -0.504 . . . . 1.0 109.638 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.51 ' O ' HG23 ' C' ' 62' ' ' VAL . 2.6 mm? -47.06 -45.37 21.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.611 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.76 -49.51 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.368 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -49.5 -55.08 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' C' ' 62' ' ' VAL . 24.7 p -63.95 -58.32 7.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.04 0.448 . . . . 1.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' C' ' 58' ' ' LEU . 64.3 t -49.91 -29.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.574 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.553 ' SD ' ' SD ' ' B' ' 63' ' ' MET . 30.5 ttp -58.54 -32.09 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.423 ' O ' HG22 ' C' ' 67' ' ' ILE . 32.7 mt -68.6 -47.77 65.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.023 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.18 -37.62 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.431 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.435 ' O ' ' N ' ' C' ' 70' ' ' ILE . 43.1 mtt -66.69 -33.21 75.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.423 HG22 ' O ' ' C' ' 64' ' ' LEU . 1.2 tp -47.71 -39.94 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.131 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.401 ' H ' HG12 ' C' ' 68' ' ' VAL . 4.4 p -89.94 -20.98 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.989 -0.284 . . . . 1.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -92.11 -62.45 1.41 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 121.079 -0.248 . . . . 1.0 111.376 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' C' ' 73' ' ' SER . 39.0 mt -64.51 -59.3 4.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.257 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -48.22 -43.34 32.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.296 -0.562 . . . . 1.0 110.076 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.3 -10.35 23.48 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.222 0.534 . . . . 1.0 109.67 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' ILE . 1.3 t -89.34 -52.6 4.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.378 -0.828 . . . . 1.0 108.854 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.06 71.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.113 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 mp -48.79 -38.25 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.347 -0.842 . . . . 1.0 109.04 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' C' ' 80' ' ' ASP . 30.4 mm-40 -85.56 -23.88 27.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.027 -0.269 . . . . 1.0 110.474 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.36 -53.45 58.17 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 120.46 -0.496 . . . . 1.0 109.899 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.6 -32.15 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.73 -24.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' C' ' 76' ' ' GLU . 55.0 m-20 -79.52 -106.44 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.13 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' C' ' 82' ' ' ILE . 98.4 mtt180 -103.98 -57.62 2.01 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.763 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.794 HG23 ' H ' ' C' ' 83' ' ' GLY . 2.0 tp 161.49 -63.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 124.03 0.831 . . . . 1.0 109.677 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . 0.794 ' H ' HG23 ' C' ' 82' ' ' ILE . . . 58.95 -143.01 45.92 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.408 ' O ' ' O ' ' C' ' 83' ' ' GLY . 23.6 p 47.16 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 1.0 110.935 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -50.29 115.53 1.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.034 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . 0.466 ' O ' ' CD1' ' C' ' 86' ' ' TYR . 62.9 t80 -83.75 -14.58 51.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' C' ' 88' ' ' GLU . 70.6 m-70 -55.29 -63.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.155 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' C' ' 87' ' ' HIS . 34.1 tt0 46.85 104.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.695 0.283 . . . . 1.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' C' ' 91' ' ' GLY . 2.0 pp -177.9 -38.33 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.08 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.433 ' O ' ' O ' ' C' ' 91' ' ' GLY . 17.1 m -72.44 28.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.332 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 53.32 169.29 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -84.75 -28.1 26.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.073 0.463 . . . . 1.0 110.142 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.14 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.654 . . . . 1.0 111.09 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -66.74 -29.2 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.67 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -40.09 -44.87 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 1.0 111.224 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . . . . . . . . . 35.5 mmm -72.6 -45.22 60.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -65.27 -39.58 96.08 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.51 -0.636 . . . . 1.0 111.51 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 3.4 t -48.64 -31.48 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 1.0 111.07 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.19 -48.39 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' C' ' 104' ' ' ALA . . . -65.28 -21.03 66.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.496 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 6.3 t -64.17 -66.29 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.743 0.306 . . . . 1.0 110.255 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.6 -45.66 66.63 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.689 0.757 . . . . 1.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' C' ' 106' ' ' ILE . 20.5 mt -70.57 -24.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.572 -0.74 . . . . 1.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 100' ' ' ALA . . . -38.23 -49.42 1.37 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.97 0.414 . . . . 1.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' C' ' 109' ' ' VAL . 82.4 mt -66.35 -38.5 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.817 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' C' ' 103' ' ' ILE . 8.1 mt -75.52 -61.97 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.521 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.977 HG13 ' H ' ' C' ' 108' ' ' ALA . 7.5 p -50.22 -74.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.363 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.977 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -35.41 -30.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.905 0.335 . . . . 1.0 111.905 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' C' ' 107' ' ' VAL . 79.8 t -84.79 -77.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.892 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.21 -23.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.072 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 76.3 m -58.52 -52.93 63.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.027 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . 0.498 ' CD2' ' O ' ' C' ' 108' ' ' ALA . 4.6 m0 -76.49 -26.89 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.483 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.87 -59.07 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.48 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.17 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.413 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.71 -30.94 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.239 -0.652 . . . . 1.0 109.239 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 119' ' ' HIS . 6.7 tp -66.09 -38.47 88.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.214 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' C' ' 117' ' ' TRP . 36.5 m0 -61.78 -22.79 65.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 1.0 110.364 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 -34.27 38.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.535 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.561 ' ND1' ' N ' ' C' ' 120' ' ' PHE . 0.0 OUTLIER -64.14 -17.91 63.93 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.831 -179.27 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.561 ' N ' ' ND1' ' C' ' 119' ' ' HIS . 52.8 t80 51.89 175.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.246 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.501 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 118.03 -1.428 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.65 -51.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.525 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 2.3 m-20 -77.14 -167.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.64 65.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 6' ' ' GLY . 10.0 t -78.01 -39.04 43.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.587 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 5' ' ' THR . . . -170.16 14.41 0.06 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 1.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 p -58.71 -37.65 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 17.1 mmm180 -57.37 -39.17 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.399 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.28 -48.26 74.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.86 -49.05 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.185 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.77 -38.02 87.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.4 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -60.73 -30.65 70.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.62 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 -14.6 58.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.804 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.15 1.85 68.13 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.333 -0.707 . . . . 1.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -82.71 -22.22 34.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 1.0 110.534 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -55.49 -29.72 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -52.11 -38.92 58.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -57.65 -41.98 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.91 -27.2 71.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.19 -49.61 76.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.925 0.393 . . . . 1.0 110.142 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.44 -37.28 70.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.24 -27.75 62.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -51.59 -30.91 22.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.823 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CD1' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -47.81 -45.85 30.16 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.973 0.416 . . . . 1.0 110.02 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 mt -60.54 -16.7 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.916 -0.583 . . . . 1.0 110.372 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.2 m120 -106.66 43.37 1.16 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.37 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.463 179.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' H ' ' CG ' ' A' ' 28' ' ' GLU . . . -60.03 2.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.504 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -40.63 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -89.22 -45.91 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.21 0.528 . . . . 1.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.518 -0.764 . . . . 1.0 109.673 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' OE1' ' CD1' ' A' ' 25' ' ' TRP . 36.8 tp60 -59.93 -62.13 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.508 -0.769 . . . . 1.0 109.96 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.0 -22.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.678 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -93.63 -55.35 1.55 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.868 -0.606 . . . . 1.0 112.216 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.59 -34.46 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 122.343 -0.504 . . . . 1.0 110.666 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . -59.65 -64.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.219 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -39.05 -18.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.27 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tt -87.87 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.672 -0.862 . . . . 1.0 108.672 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ALA . 4.0 mm? -66.21 -36.64 83.6 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.25 64.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.012 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -89.52 -37.53 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -56.81 -47.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.521 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 45' ' ' ALA . 10.2 tp -73.23 -47.23 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.478 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -60.52 -39.38 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.604 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.45 -51.41 63.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.194 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.76 -54.08 50.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.202 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 48' ' ' LEU . 10.4 mp -82.84 -170.69 3.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.016 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 50' ' ' VAL . 15.2 p-10 -71.53 -122.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.496 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 11.3 p -158.31 149.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.406 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.25 177.04 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 -139.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.726 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -97.73 -28.69 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.381 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.406 ' N ' HD13 ' A' ' 53' ' ' ILE . 36.5 p -38.0 -40.24 0.46 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.854 0.359 . . . . 1.0 111.134 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.06 -40.58 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.061 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ILE . 46.7 t -61.69 -37.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -48.0 -53.05 17.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' O ' HG12 ' A' ' 62' ' ' VAL . 11.1 tp -49.86 -52.12 35.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 63' ' ' MET . 14.5 mm -61.67 -25.75 37.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.202 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 t -76.22 -52.25 10.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.282 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m -64.13 -59.57 4.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.999 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG21 HD13 ' C' ' 103' ' ' ILE . 6.2 p -50.56 -35.54 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.705 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.2 mmt -58.52 -39.24 79.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.19 -37.98 84.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -68.41 -37.05 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.8 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.99 39.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.248 -0.433 . . . . 1.0 112.017 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.7 -23.9 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.083 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 66' ' ' MET . 86.8 t -90.84 -33.23 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 1.0 110.443 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' MET . 28.1 tp10 -94.76 -51.9 4.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.048 -0.524 . . . . 1.0 112.071 -178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 8.9 tt -67.55 -53.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.451 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 70' ' ' ILE . 2.2 tp -54.17 -35.59 62.45 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.124 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' O ' ' OE1' ' C' ' 88' ' ' GLU . 55.3 t30 -72.76 -12.67 61.1 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.235 0.541 . . . . 1.0 109.763 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -91.5 -52.16 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.411 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.66 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.349 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 71' ' ' LEU . 2.5 pp -52.84 -40.0 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.699 -0.8 . . . . 1.0 109.587 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' OD2' ' A' ' 80' ' ' ASP . 21.1 tt0 -82.39 -23.92 34.7 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.33 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -58.0 -51.58 69.07 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.8 t -52.88 -32.7 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.18 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.62 -24.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 1.0 111.111 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 63.0 m-20 -78.1 -102.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' A' ' 82' ' ' ILE . 60.5 ttt-85 -100.78 -10.0 21.2 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.902 0.334 . . . . 1.0 111.902 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' A' ' 81' ' ' ARG . 3.8 tt 34.93 98.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.919 0.39 . . . . 1.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.77 -178.86 15.58 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 p 58.35 38.33 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 110.468 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.14 -71.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.655 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.477 ' O ' HD21 ' A' ' 89' ' ' LEU . 72.7 m-85 -51.51 -16.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -56.54 -10.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' B' ' 72' ' ' ASN . 87.7 mt-10 -125.15 87.63 2.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.695 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 86' ' ' TYR . 19.3 mt -101.7 -23.18 14.27 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.359 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -74.17 36.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 89' ' ' LEU . . . 56.99 167.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.475 ' CD ' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -86.31 -22.49 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.55 -50.28 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.8 -29.27 69.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.12 -40.24 2.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.852 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 96' ' ' MET . 2.2 mpp? -70.56 -43.72 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' ' 101' ' ' VAL . . . -63.14 -36.54 93.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.14 8.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.717 0.294 . . . . 1.0 110.836 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.17 -50.28 4.89 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HA ' HD11 ' A' ' 103' ' ' ILE . . . -55.34 -26.11 38.82 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.76 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 97' ' ' GLY . 25.1 t -69.39 -59.2 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.897 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.1 mt -50.42 -44.19 55.1 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.007 -0.677 . . . . 1.0 110.589 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 106' ' ' ILE . 9.7 pt -78.55 -26.64 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 1.0 111.315 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' ILE . . . -36.79 -48.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 120.956 0.408 . . . . 1.0 110.852 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 80.2 mt -69.39 -38.51 77.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.985 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 103' ' ' ILE . 7.9 mt -75.14 -61.44 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.505 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 108' ' ' ALA . 13.5 p -47.6 -71.9 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 121.083 -0.247 . . . . 1.0 111.04 -178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.873 ' H ' HG13 ' A' ' 107' ' ' VAL . . . -39.55 -26.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.84 0.291 . . . . 1.0 111.422 -179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' VAL . 99.4 t -92.84 -81.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.957 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.19 -37.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.289 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 107' ' ' VAL . 14.4 m -59.15 -49.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.884 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.8 -31.22 69.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.135 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.73 -58.81 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.262 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 114' ' ' ILE . 1.2 mp -67.43 -39.89 83.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.776 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.4 tp -55.69 -31.03 62.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -67.67 -30.91 70.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.917 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -56.99 -20.65 25.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 120' ' ' PHE . 8.2 t -59.84 -29.98 68.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.287 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -63.35 -0.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.728 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' A' ' 118' ' ' SER . 70.5 t80 -81.91 -93.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.408 ' N ' ' CD2' ' A' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.219 -0.788 0 CA-C-O 118.036 -1.424 . . . . 1.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.381 -0.599 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.58 -51.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' B' ' 3' ' ' ASN . 2.3 m-20 -77.29 -167.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.494 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.62 65.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.593 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.448 HG23 ' N ' ' B' ' 6' ' ' GLY . 10.0 t -78.06 -38.97 43.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.448 ' N ' HG23 ' B' ' 5' ' ' THR . . . -170.2 14.41 0.06 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.48 -33.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.302 . . . . 1.0 110.514 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -58.81 -37.56 76.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 17.1 mmm180 -57.47 -39.15 75.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mt -68.26 -48.23 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.308 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -61.95 -49.05 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.174 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.75 -38.01 87.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.406 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' B' ' 9' ' ' ARG . . . -60.71 -30.69 70.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.604 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.56 -14.67 58.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.786 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.1 1.84 67.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -82.71 -22.31 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 1.0 110.497 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -55.4 -29.8 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.646 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -51.97 -38.97 58.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -57.73 -41.86 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.08 -27.1 70.89 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.498 ' O ' HD13 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -61.16 -49.6 76.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 1.0 110.162 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.37 -37.34 69.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.672 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.71 23.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.93 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.427 ' CD1' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -47.92 -45.72 31.13 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.997 0.427 . . . . 1.0 110.055 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.63 -16.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.437 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.7 43.42 1.16 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.379 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 30' ' ' ALA . 0.4 OUTLIER 171.36 -93.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.527 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.421 ' H ' ' CG ' ' B' ' 28' ' ' GLU . . . -60.08 2.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.527 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -40.5 -29.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.891 0.377 . . . . 1.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -89.24 -45.91 9.18 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.15 0.5 . . . . 1.0 110.167 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -65.84 -22.47 66.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.711 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.427 ' OE1' ' CD1' ' B' ' 25' ' ' TRP . 36.8 tp60 -59.99 -62.08 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.921 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.06 -22.43 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.349 -0.54 . . . . 1.0 110.606 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.453 ' O ' HG12 ' B' ' 38' ' ' VAL . . . -93.59 -55.25 1.57 Allowed Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.29 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.74 -34.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 122.368 -0.489 . . . . 1.0 110.543 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' B' ' 39' ' ' LEU . . . -59.6 -64.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.229 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.492 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -38.98 -18.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.272 -178.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' B' ' 37' ' ' ALA . 1.2 tt -87.72 -54.44 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 178.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' ALA . 4.0 mm? -65.95 -36.8 84.34 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.445 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.22 65.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 38' ' ' VAL . 44.2 t -89.49 -37.57 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.84 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -56.7 -48.04 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.36 . . . . 1.0 110.476 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.591 HG23 ' N ' ' B' ' 45' ' ' ALA . 10.2 tp -73.17 -47.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.495 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.591 ' N ' HG23 ' B' ' 44' ' ' ILE . . . -60.53 -39.43 87.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.579 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 39.2 t -64.38 -51.45 63.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.259 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.71 -54.03 50.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.258 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 48' ' ' LEU . 10.4 mp -82.96 -170.65 3.13 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' B' ' 50' ' ' VAL . 15.3 p-10 -71.56 -122.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.464 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.428 ' H ' ' CG ' ' B' ' 49' ' ' ASP . 11.3 p -158.27 149.2 8.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.374 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.29 177.07 7.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.63 -139.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.716 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -97.8 -28.46 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.398 -179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.4 p -38.23 -40.18 0.49 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.819 0.342 . . . . 1.0 111.091 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -79.05 -40.51 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.11 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' B' ' 53' ' ' ILE . 46.6 t -61.77 -37.1 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.654 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 57' ' ' LEU . 0.4 OUTLIER -48.14 -53.01 18.19 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 62' ' ' VAL . 11.1 tp -49.85 -52.05 35.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.984 -0.746 . . . . 1.0 108.984 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' B' ' 63' ' ' MET . 14.6 mm -61.76 -25.7 37.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.17 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.26 -52.19 10.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.291 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 44.1 m -64.17 -59.62 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.963 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.519 HG21 HD13 ' A' ' 103' ' ' ILE . 6.2 p -50.49 -35.59 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.7 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' B' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.21 79.4 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.976 -0.379 . . . . 1.0 109.976 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.3 -37.84 84.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -37.1 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.801 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.513 ' O ' ' N ' ' B' ' 69' ' ' GLU . 7.3 mmt -66.55 -52.96 39.88 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.274 -0.421 . . . . 1.0 112.035 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.7 pt -44.72 -23.85 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 C-N-CA 119.868 -0.733 . . . . 1.0 110.154 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 66' ' ' MET . 87.5 t -90.83 -33.33 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 1.0 110.38 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 66' ' ' MET . 28.1 tp10 -94.65 -51.81 4.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 112.17 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 8.9 tt -67.57 -53.29 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.432 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' B' ' 70' ' ' ILE . 2.2 tp -54.18 -35.63 62.54 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.142 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' A' ' 88' ' ' GLU . 55.2 t30 -72.73 -12.58 61.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.244 0.545 . . . . 1.0 109.752 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.469 ' O ' ' N ' ' B' ' 77' ' ' ALA . 0.3 OUTLIER -91.56 -52.2 4.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.362 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.93 -51.66 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.324 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' B' ' 71' ' ' LEU . 2.5 pp -52.77 -40.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 119.782 -0.767 . . . . 1.0 109.643 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 80' ' ' ASP . 21.2 tt0 -82.41 -23.92 34.64 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -58.03 -51.49 69.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.449 -0.575 . . . . 1.0 109.449 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.95 -32.62 18.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.278 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 41.4 t -85.67 -24.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 76' ' ' GLU . 62.6 m-20 -78.04 -102.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.139 0.422 . . . . 1.0 112.139 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.452 ' O ' ' O ' ' B' ' 82' ' ' ILE . 60.4 ttt-85 -100.71 -10.04 21.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.933 0.346 . . . . 1.0 111.933 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.452 ' O ' ' O ' ' B' ' 81' ' ' ARG . 3.7 tt 34.94 98.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 121.017 0.437 . . . . 1.0 111.3 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.68 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 58.11 38.5 26.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 1.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.21 -71.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.57 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.476 ' O ' HD21 ' B' ' 89' ' ' LEU . 72.8 m-85 -51.4 -16.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -56.62 -10.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 72' ' ' ASN . 87.8 mt-10 -125.09 87.61 2.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.476 HD21 ' O ' ' B' ' 86' ' ' TYR . 19.1 mt -101.75 -23.13 14.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.364 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.19 36.94 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' B' ' 89' ' ' LEU . . . 56.97 167.74 0.08 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.681 -0.967 . . . . 1.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' B' ' 92' ' ' ARG . 0.0 OUTLIER -86.3 -22.39 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.302 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.41 71.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -66.74 -29.26 69.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -42.2 -40.16 2.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.886 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' B' ' 96' ' ' MET . 2.2 mpp? -70.59 -43.72 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . 0.493 ' O ' HG23 ' B' ' 101' ' ' VAL . . . -63.12 -36.53 93.58 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 43.8 t -48.42 -33.1 8.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.615 0.245 . . . . 1.0 110.785 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.27 -50.29 4.85 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' B' ' 103' ' ' ILE . . . -55.37 -26.05 38.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.738 -178.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 97' ' ' GLY . 25.0 t -69.48 -59.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.45 -44.17 55.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.065 -0.654 . . . . 1.0 110.567 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 106' ' ' ILE . 9.8 pt -78.55 -26.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.253 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' B' ' 103' ' ' ILE . . . -36.69 -48.76 0.73 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.927 0.394 . . . . 1.0 110.859 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 109' ' ' VAL . 80.3 mt -69.41 -38.47 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.914 -0.585 . . . . 1.0 109.995 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.9 mt -75.11 -61.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.446 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.866 HG13 ' H ' ' B' ' 108' ' ' ALA . 13.4 p -47.54 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 121.169 -0.212 . . . . 1.0 111.046 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.866 ' H ' HG13 ' B' ' 107' ' ' VAL . . . -39.48 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.815 0.279 . . . . 1.0 111.476 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' B' ' 107' ' ' VAL . 99.4 t -92.89 -81.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.912 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.16 -37.26 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.235 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 107' ' ' VAL . 14.4 m -59.09 -49.86 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.815 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -69.77 -31.38 69.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.026 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' CYS . . . . . . . . . . . . . 74.5 m -65.74 -58.71 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.328 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' B' ' 114' ' ' ILE . 1.2 mp -67.42 -39.95 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.766 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.61 -31.05 61.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.56 ' O ' HD23 ' B' ' 116' ' ' LEU . 0.9 OUTLIER -67.7 -30.95 70.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.857 179.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.96 -20.63 24.77 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.106 0.479 . . . . 1.0 110.296 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . 0.436 ' C ' ' H ' ' B' ' 120' ' ' PHE . 8.2 t -59.81 -30.02 68.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.279 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 116' ' ' LEU . 0.4 OUTLIER -63.23 -0.63 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.81 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' B' ' 118' ' ' SER . 70.7 t80 -81.85 -93.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.584 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.404 ' N ' ' CD2' ' B' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.071 -1.405 . . . . 1.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -161.68 -51.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' C' ' 3' ' ' ASN . 2.3 m-20 -77.11 -167.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.52 65.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.537 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.455 HG23 ' N ' ' C' ' 6' ' ' GLY . 9.9 t -77.99 -39.01 43.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.628 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' GLY . . . . . 0.455 ' N ' HG23 ' C' ' 5' ' ' THR . . . -170.16 14.39 0.06 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -64.41 -33.19 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 1.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 50.3 p -58.8 -37.57 76.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' C' ' 13' ' ' ALA . 17.1 mmm180 -57.42 -39.14 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.351 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mt -68.3 -48.27 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.306 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.9 -49.0 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.174 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -65.83 -37.99 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' C' ' 9' ' ' ARG . . . -60.73 -30.66 70.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.697 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.15 1.84 68.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.368 -0.693 . . . . 1.0 111.368 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -82.72 -22.25 34.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 28.2 t -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -51.99 -39.01 58.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -57.64 -41.92 82.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.04 -27.14 70.9 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.492 HD13 ' O ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -61.2 -49.62 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 1.0 110.133 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -56.37 -37.27 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.2 -27.74 62.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.667 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.79 -30.7 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.847 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' OE1' ' C' ' 33' ' ' GLN . 0.0 OUTLIER -47.9 -45.82 31.06 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.893 0.378 . . . . 1.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -60.54 -16.62 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.66 43.35 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.347 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' C' ' 30' ' ' ALA . 0.4 OUTLIER 171.31 -93.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.55 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' C' ' 28' ' ' GLU . . . -60.15 2.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.508 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' C' ' 28' ' ' GLU . . . -40.63 -28.91 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 1.0 111.179 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -89.25 -45.95 9.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.154 0.502 . . . . 1.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.88 -22.38 66.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.683 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.422 ' OE1' ' CD1' ' C' ' 25' ' ' TRP . 36.8 tp60 -60.03 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.949 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -47.03 -22.42 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.606 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.45 ' O ' HG12 ' C' ' 38' ' ' VAL . . . -93.61 -55.29 1.56 Allowed Glycine 0 CA--C 1.528 0.875 0 CA-C-N 115.961 -0.563 . . . . 1.0 112.303 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 p -49.6 -34.56 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 117.144 0.472 . . . . 1.0 110.576 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' C' ' 39' ' ' LEU . . . -59.55 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.258 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.508 ' O ' HG23 ' C' ' 42' ' ' VAL . 0.3 OUTLIER -39.04 -18.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.277 -178.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' C' ' 37' ' ' ALA . 1.2 tt -87.86 -54.18 4.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.65 -0.87 . . . . 1.0 108.65 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' C' ' 37' ' ' ALA . 4.0 mm? -66.17 -36.7 83.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.486 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.17 -24.1 64.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.996 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.508 HG23 ' O ' ' C' ' 38' ' ' VAL . 43.9 t -89.59 -37.54 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.765 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 39' ' ' LEU . 45.3 t -56.84 -47.82 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.537 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.582 HG23 ' N ' ' C' ' 45' ' ' ALA . 10.2 tp -73.29 -47.16 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . 0.582 ' N ' HG23 ' C' ' 44' ' ' ILE . . . -60.43 -39.47 87.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.628 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.42 -51.41 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.83 -53.96 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.54 ' N ' HD12 ' C' ' 48' ' ' LEU . 10.4 mp -82.98 -170.7 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.441 . . . . 1.0 109.972 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' C' ' 50' ' ' VAL . 15.3 p-10 -71.5 -122.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.505 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' VAL . . . . . 0.426 ' H ' ' CG ' ' C' ' 49' ' ' ASP . 11.3 p -158.27 149.13 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.366 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 177.17 7.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.61 -139.49 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' C' ' 56' ' ' VAL . 0.0 OUTLIER -97.82 -28.63 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.321 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 36.6 p -37.98 -40.38 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 1.0 111.1 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -78.98 -40.58 31.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.088 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' C' ' 53' ' ' ILE . 46.9 t -61.79 -37.08 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.61 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.516 ' O ' HD13 ' C' ' 57' ' ' LEU . 0.4 OUTLIER -48.04 -53.02 17.72 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 -179.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.466 ' O ' HG12 ' C' ' 62' ' ' VAL . 11.1 tp -49.92 -52.12 35.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' C' ' 63' ' ' MET . 14.5 mm -61.64 -25.66 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.301 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -76.3 -52.13 10.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 -59.62 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.956 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . 0.496 HG21 HD13 ' B' ' 103' ' ' ILE . 6.3 p -50.58 -35.54 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.676 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' C' ' 59' ' ' ILE . 4.2 mmt -58.49 -39.16 79.25 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.979 -0.378 . . . . 1.0 109.979 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.38 -37.88 83.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.03 -0.73 . . . . 1.0 109.03 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.45 -37.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.76 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' MET . . . . . 0.517 ' O ' ' N ' ' C' ' 69' ' ' GLU . 7.3 mmt -66.45 -53.08 39.52 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.069 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 pt -44.62 -23.93 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 119.96 -0.696 . . . . 1.0 110.16 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' C' ' 66' ' ' MET . 87.4 t -90.79 -33.31 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 1.0 110.392 178.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' C' ' 66' ' ' MET . 28.2 tp10 -94.72 -51.83 4.54 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.165 -0.471 . . . . 1.0 112.102 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' C' ' 71' ' ' LEU . 8.8 tt -67.54 -53.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.559 -0.456 . . . . 1.0 110.427 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' C' ' 70' ' ' ILE . 2.2 tp -54.28 -35.64 62.8 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.048 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' ASN . . . . . 0.412 ' O ' ' OE1' ' B' ' 88' ' ' GLU . 55.1 t30 -72.72 -12.57 61.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.201 0.524 . . . . 1.0 109.752 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' SER . . . . . 0.466 ' O ' ' N ' ' C' ' 77' ' ' ALA . 0.3 OUTLIER -91.53 -52.13 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.37 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.01 -51.68 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.286 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 71' ' ' LEU . 2.6 pp -52.73 -40.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.738 -0.785 . . . . 1.0 109.658 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' C' ' 80' ' ' ASP . 21.2 tt0 -82.37 -23.95 34.72 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.333 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' C' ' 73' ' ' SER . . . -58.02 -51.55 69.22 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' VAL . . . . . . . . . . . . . 83.9 t -52.92 -32.6 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.265 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.82 -24.17 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.579 -0.737 . . . . 1.0 111.012 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' C' ' 76' ' ' GLU . 63.0 m-20 -78.16 -102.87 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' C' ' 82' ' ' ILE . 60.4 ttt-85 -100.74 -10.01 21.23 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.916 0.339 . . . . 1.0 111.916 -178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' C' ' 81' ' ' ARG . 3.7 tt 35.01 97.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.95 0.405 . . . . 1.0 111.378 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.71 -178.79 15.54 Favored Glycine 0 N--CA 1.467 0.736 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.0 p 58.22 38.47 26.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 1.0 110.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -77.3 -71.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' TYR . . . . . 0.481 ' O ' HD21 ' C' ' 89' ' ' LEU . 72.9 m-85 -51.37 -16.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.539 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.65 -10.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 72' ' ' ASN . 87.9 mt-10 -125.08 87.62 2.74 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.858 0.361 . . . . 1.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . 0.481 HD21 ' O ' ' C' ' 86' ' ' TYR . 19.1 mt -101.75 -23.1 14.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.37 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -74.32 36.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' C' ' 89' ' ' LEU . . . 57.04 167.68 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.46 ' H ' ' CD ' ' C' ' 92' ' ' ARG . 0.0 OUTLIER -86.28 -22.51 26.77 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.572 -0.529 . . . . 1.0 109.572 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -50.43 71.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.399 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -66.81 -29.31 69.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -42.11 -40.22 2.23 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.854 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' C' ' 96' ' ' MET . 2.1 mpp? -70.59 -43.76 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' GLY . . . . . 0.492 ' O ' HG23 ' C' ' 101' ' ' VAL . . . -63.03 -36.6 93.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' SER . . . . . . . . . . . . . 43.7 t -48.44 -33.1 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 121.001 -0.28 . . . . 1.0 110.754 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.3 -50.19 4.89 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' C' ' 103' ' ' ILE . . . -55.43 -26.06 39.73 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 97' ' ' GLY . 25.0 t -69.38 -59.31 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' LEU . . . . . . . . . . . . . 32.3 mt -50.3 -44.26 53.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.569 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' C' ' 106' ' ' ILE . 9.8 pt -78.5 -26.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.301 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' C' ' 103' ' ' ILE . . . -36.75 -48.73 0.74 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.857 0.36 . . . . 1.0 110.873 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' ILE . . . . . 0.43 ' O ' HG23 ' C' ' 109' ' ' VAL . 80.3 mt -69.28 -38.56 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.992 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' C' ' 103' ' ' ILE . 7.9 mt -75.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.497 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.861 HG13 ' H ' ' C' ' 108' ' ' ALA . 13.4 p -47.62 -71.92 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.72 -0.218 . . . . 1.0 111.036 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' ALA . . . . . 0.861 ' H ' HG13 ' C' ' 107' ' ' VAL . . . -39.56 -26.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.831 0.287 . . . . 1.0 111.492 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' C' ' 107' ' ' VAL . 99.5 t -92.92 -81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.94 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -46.09 -37.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.307 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 107' ' ' VAL . 14.2 m -59.08 -49.85 76.31 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.892 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.71 -31.34 69.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.097 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.75 -58.76 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.248 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' C' ' 114' ' ' ILE . 1.2 mp -67.41 -39.98 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.741 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 36.2 tp -55.6 -31.12 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . 0.551 ' O ' HD23 ' C' ' 116' ' ' LEU . 0.9 OUTLIER -67.61 -31.01 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 1.0 109.921 179.386 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -56.85 -20.68 24.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.232 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.434 ' C ' ' H ' ' C' ' 120' ' ' PHE . 8.3 t -59.87 -29.95 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.279 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' C' ' 116' ' ' LEU . 0.4 OUTLIER -63.3 -0.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.8 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' C' ' 118' ' ' SER . 70.1 t80 -81.95 -93.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' GLY . . . . . 0.4 ' N ' ' CD2' ' C' ' 120' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 118.007 -1.44 . . . . 1.0 110.907 -179.953 . . . . . . . . 1 1 . 1 stop_ save_