data_6u6p_residue ############################ # Computer software used # ############################ 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 6u6p _Structure_validation_residue.Date_analyzed 2020-07-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' B' ' 6' ' ' LEU . 92.2 mt . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' B' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.605 HD13 ' O ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' B' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.529 ' HA ' ' CZ ' ' B' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.449 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD11 HD11 ' B' ' 6' ' ' LEU . 95.8 mt . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.703 ' OD1' ' HA2' ' B' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.692 ' HA2' ' OD1' ' B' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.451 HD11 HD11 ' A' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.692 ' OD1' ' HA2' ' A' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.703 ' HA2' ' OD1' ' A' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' B' ' 6' ' ' LEU . 96.6 mt . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 120.64 0.257 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.614 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.417 ' C ' HD23 ' B' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.432 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 1.516 ' NH2' ' CD1' ' A' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.572 ' HE2' HD13 ' A' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.816 HG11 HD11 ' A' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD13 ' HE2' ' A' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 1.516 ' CD1' ' NH2' ' A' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.816 HD11 HG11 ' A' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 1.495 ' NH2' ' CD1' ' B' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.584 ' HE2' HD13 ' B' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.815 HG11 HD11 ' B' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.584 HD13 ' HE2' ' B' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 1.495 ' CD1' ' NH2' ' B' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.815 HD11 HG11 ' B' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.695 HD13 HD13 ' B' ' 6' ' ' LEU . 93.9 mt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.655 0.264 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.6 HD13 HD11 ' B' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.61 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' HB ' ' A' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HD2' HD13 ' A' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.242 ' CB ' HG21 ' B' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 1.243 HG21 ' CB ' ' B' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' A' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' B' ' 4' ' ' ILE . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.695 HD13 HD13 ' A' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.459 ' O ' ' HB ' ' B' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' B' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HD2' HD13 ' B' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 1.243 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 1.242 HG21 ' CB ' ' A' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.407 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.407 HD13 ' HD2' ' B' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.654 0.264 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 3' ' ' LEU . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' B' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.426 HG12 HG23 ' B' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.426 HG23 HG12 ' B' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.699 0.285 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.469 ' HB ' ' HH ' ' A' ' 39' ' ' TYR . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' HH ' ' HB ' ' A' ' 36' ' ' THR . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.531 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.599 ' C ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.457 ' HB ' ' HH ' ' B' ' 39' ' ' TYR . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.457 ' HH ' ' HB ' ' B' ' 36' ' ' THR . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.4 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.525 ' HA ' ' HE2' ' B' ' 48' ' ' MET . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.639 0.256 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.878 ' OE1' HD13 ' B' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.878 HD13 ' OE1' ' A' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.436 ' N ' ' HD3' ' B' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.43 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.432 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 1.076 HD11 ' CE ' ' B' ' 1' ' ' MET . 63.2 tp . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.67 0.272 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD11 HD21 ' B' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD21 HD11 ' B' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 1.076 ' CE ' HD11 ' A' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.5 HD23 ' C ' ' B' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.448 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.435 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.462 HD21 HD11 ' A' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.623 0.249 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.752 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' B' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' HB3' ' CE2' ' B' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG12 HG23 ' A' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 HG12 ' A' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.44 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.757 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.402 ' HB2' ' HA3' ' B' ' 71' ' ' GLY . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.559 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.424 HG12 HG23 ' B' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.424 HG23 HG12 ' B' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.402 ' HA3' ' HB2' ' B' ' 31' ' ' ALA . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.45 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' B' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' B' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.605 HD13 ' O ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' B' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.529 ' HA ' ' CZ ' ' B' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.449 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' B' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD11 HD11 ' B' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.703 ' OD1' ' HA2' ' B' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.692 ' HA2' ' OD1' ' B' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.451 HD11 HD11 ' A' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.692 ' OD1' ' HA2' ' A' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.616 ' HB2' HD23 ' A' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.703 ' HA2' ' OD1' ' A' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' B' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.614 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.417 ' C ' HD23 ' B' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.432 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 1.516 ' NH2' ' CD1' ' A' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.572 ' HE2' HD13 ' A' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.816 HG11 HD11 ' A' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD13 ' HE2' ' A' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 1.516 ' CD1' ' NH2' ' A' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.816 HD11 HG11 ' A' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.495 ' NH2' ' CD1' ' B' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.584 ' HE2' HD13 ' B' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.815 HG11 HD11 ' B' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.584 HD13 ' HE2' ' B' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 1.495 ' CD1' ' NH2' ' B' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.815 HD11 HG11 ' B' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.597 HD11 HD13 ' B' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD13 HD13 ' B' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.6 HD13 HD11 ' B' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' O ' ' HB ' ' A' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HD2' HD13 ' A' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.242 ' CB ' HG21 ' B' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 1.243 HG21 ' CB ' ' B' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.402 HD13 ' HD2' ' A' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' B' ' 4' ' ' ILE . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.695 HD13 HD13 ' A' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.459 ' O ' ' HB ' ' B' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' B' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HD2' HD13 ' B' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 1.243 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 1.242 HG21 ' CB ' ' A' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.407 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.407 HD13 ' HD2' ' B' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 3' ' ' LEU . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' B' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.426 HG12 HG23 ' B' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.426 HG23 HG12 ' B' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.469 ' HB ' ' HH ' ' A' ' 39' ' ' TYR . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' HH ' ' HB ' ' A' ' 36' ' ' THR . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.531 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.599 ' C ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.457 ' HB ' ' HH ' ' B' ' 39' ' ' TYR . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.457 ' HH ' ' HB ' ' B' ' 36' ' ' THR . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.4 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.525 ' HA ' ' HE2' ' B' ' 48' ' ' MET . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.857 HD13 ' OE1' ' B' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.878 ' OE1' HD13 ' B' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.878 HD13 ' OE1' ' A' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.434 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.436 ' N ' ' HD3' ' B' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.43 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.857 ' OE1' HD13 ' A' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.432 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.066 ' CE ' HD11 ' B' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 1.076 HD11 ' CE ' ' B' ' 1' ' ' MET . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD11 HD21 ' B' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD21 HD11 ' B' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 1.076 ' CE ' HD11 ' A' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.066 HD11 ' CE ' ' A' ' 1' ' ' MET . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.5 HD23 ' C ' ' B' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.448 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.435 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.462 HD21 HD11 ' A' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.752 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' B' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' HB3' ' CE2' ' B' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG12 HG23 ' A' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 HG12 ' A' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.44 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.757 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.402 ' HB2' ' HA3' ' B' ' 71' ' ' GLY . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.559 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.424 HG12 HG23 ' B' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.424 HG23 HG12 ' B' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.402 ' HA3' ' HB2' ' B' ' 31' ' ' ALA . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.45 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' B' ' 6' ' ' LEU . 92.2 mt . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 7.0 tp-100 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.606 HD13 ' O ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' B' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 7.0 tp-100 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.403 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.459 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 11.7 m120 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 6' ' ' LEU . 95.8 mt . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.704 ' OD1' ' HA2' ' B' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.694 ' HA2' ' OD1' ' B' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.694 ' OD1' ' HA2' ' A' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' OD1' ' A' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' B' ' 6' ' ' LEU . 96.6 mt . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 120.64 0.257 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.614 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.417 ' C ' HD23 ' B' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.447 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 1.516 ' NH2' ' CD1' ' A' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.516 ' CD1' ' NH2' ' A' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 1.495 ' NH2' ' CD1' ' B' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.443 ' CE ' HD13 ' B' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.814 HG11 HD11 ' B' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.443 HD13 ' CE ' ' B' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 1.495 ' CD1' ' NH2' ' B' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.814 HD11 HG11 ' B' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' B' ' 6' ' ' LEU . 93.9 mt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.655 0.264 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.6 HD13 HD11 ' B' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' A' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.241 ' CB ' HG21 ' B' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.243 HG21 ' CB ' ' B' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 4' ' ' ILE . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.424 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' B' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' B' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 1.243 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 1.241 HG21 ' CB ' ' A' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' B' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.654 0.264 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 3' ' ' LEU . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' B' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.425 HG12 HG23 ' B' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.425 HG23 HG12 ' B' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.699 0.285 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.6 ' C ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.639 0.256 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.46 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.879 ' OE1' HD13 ' B' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.879 HD13 ' OE1' ' A' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' B' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.432 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.076 HD11 ' CE ' ' B' ' 1' ' ' MET . 63.2 tp . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.67 0.272 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD11 HD21 ' B' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD21 HD11 ' B' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 1.076 ' CE ' HD11 ' A' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.5 HD23 ' C ' ' B' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.448 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.623 0.249 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.77 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' B' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.566 ' HB3' ' CE2' ' B' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.77 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' B' ' 71' ' ' GLY . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.423 HG12 HG23 ' B' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 HG12 ' B' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' B' ' 31' ' ' ALA . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.449 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' B' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 7.0 tp-100 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.606 HD13 ' O ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' B' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 7.0 tp-100 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.403 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.459 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 11.7 m120 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' B' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.704 ' OD1' ' HA2' ' B' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.694 ' HA2' ' OD1' ' B' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.694 ' OD1' ' HA2' ' A' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.616 ' HB2' HD23 ' A' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' OD1' ' A' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' B' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.614 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.417 ' C ' HD23 ' B' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.447 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 1.516 ' NH2' ' CD1' ' A' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.516 ' CD1' ' NH2' ' A' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.495 ' NH2' ' CD1' ' B' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.443 ' CE ' HD13 ' B' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.814 HG11 HD11 ' B' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.443 HD13 ' CE ' ' B' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 1.495 ' CD1' ' NH2' ' B' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.814 HD11 HG11 ' B' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.598 HD11 HD13 ' B' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' B' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.6 HD13 HD11 ' B' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' A' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.241 ' CB ' HG21 ' B' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.243 HG21 ' CB ' ' B' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 4' ' ' ILE . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.424 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' B' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' B' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 1.243 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 1.241 HG21 ' CB ' ' A' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' B' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 3' ' ' LEU . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' B' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.425 HG12 HG23 ' B' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.425 HG23 HG12 ' B' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.6 ' C ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.858 HD13 ' OE1' ' B' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.46 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.879 ' OE1' HD13 ' B' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.879 HD13 ' OE1' ' A' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' B' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.858 ' OE1' HD13 ' A' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.432 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.066 ' CE ' HD11 ' B' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.076 HD11 ' CE ' ' B' ' 1' ' ' MET . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 HD11 HD21 ' B' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD21 HD11 ' B' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 1.076 ' CE ' HD11 ' A' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.066 HD11 ' CE ' ' A' ' 1' ' ' MET . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.5 HD23 ' C ' ' B' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.448 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.77 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' B' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.566 ' HB3' ' CE2' ' B' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.77 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' B' ' 71' ' ' GLY . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.423 HG12 HG23 ' B' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 HG12 ' B' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' B' ' 31' ' ' ALA . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.449 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' B' ' 6' ' ' LEU . 92.2 mt . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.606 HD13 ' O ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' B' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.403 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.459 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 6' ' ' LEU . 95.8 mt . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.699 0.285 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.704 ' OD1' ' HA2' ' B' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.694 ' HA2' ' OD1' ' B' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.694 ' OD1' ' HA2' ' A' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' OD1' ' A' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' B' ' 6' ' ' LEU . 96.6 mt . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 120.64 0.257 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.614 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.417 ' C ' HD23 ' B' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.447 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.673 0.273 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 1.516 ' NH2' ' CD1' ' A' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.516 ' CD1' ' NH2' ' A' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 1.495 ' NH2' ' CD1' ' B' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.443 ' CE ' HD13 ' B' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.814 HG11 HD11 ' B' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.443 HD13 ' CE ' ' B' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 1.495 ' CD1' ' NH2' ' B' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.814 HD11 HG11 ' B' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' B' ' 6' ' ' LEU . 93.9 mt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 120.655 0.264 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.6 HD13 HD11 ' B' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' A' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.241 ' CB ' HG21 ' B' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.243 HG21 ' CB ' ' B' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 4' ' ' ILE . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.424 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' B' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' B' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 1.243 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 1.241 HG21 ' CB ' ' A' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' B' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.654 0.264 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 3' ' ' LEU . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' B' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.425 HG12 HG23 ' B' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.425 HG23 HG12 ' B' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 120.699 0.285 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.6 ' C ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.639 0.256 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.46 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.879 ' OE1' HD13 ' B' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.879 HD13 ' OE1' ' A' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' B' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.432 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.076 HD11 ' CE ' ' B' ' 1' ' ' MET . 63.2 tp . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.67 0.272 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD11 HD21 ' B' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD21 HD11 ' B' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 1.076 ' CE ' HD11 ' A' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.5 HD23 ' C ' ' B' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.448 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.623 0.249 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.77 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' B' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.566 ' HB3' ' CE2' ' B' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.77 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' B' ' 71' ' ' GLY . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.423 HG12 HG23 ' B' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 HG12 ' B' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' B' ' 31' ' ' ALA . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.449 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' B' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -78.38 147.57 34.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.649 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 3' ' ' LEU . 3.2 tm? -52.59 -34.93 52.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.606 HD13 ' O ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -70.45 -30.62 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.554 -178.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -70.81 -31.24 67.91 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 6' ' ' LEU . 92.2 mt -67.73 -38.13 83.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.897 172.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.08 -37.59 86.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.862 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' B' ' 12' ' ' GLN . 58.9 t80 -112.63 52.68 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.583 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 5.32 46.35 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -100.41 62.81 1.08 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.146 0.498 . . . . 0.0 110.609 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.65 -165.1 0.12 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.264 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 8' ' ' PHE . 64.2 tt0 -91.04 132.66 35.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.279 0.562 . . . . 0.0 110.207 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.78 -32.69 21.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.146 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.51 -153.74 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.153 0.501 . . . . 0.0 111.177 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.23 128.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -96.36 126.62 41.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.301 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.41 -8.28 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.403 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.88 35.2 16.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.487 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -139.01 153.23 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -97.46 147.87 23.79 Favored 'General case' 0 C--O 1.227 -0.086 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.795 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -135.29 125.77 26.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.2 mt -102.96 132.18 49.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 56.4 tp60 -116.48 102.84 9.85 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.739 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 84.6 mt -110.15 118.83 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.264 -174.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -109.81 118.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.839 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -113.73 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.297 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 23' ' ' GLN . . . -105.54 121.29 43.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 109.977 -170.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -113.97 106.11 14.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.562 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -92.99 112.88 24.99 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -121.01 -114.4 0.32 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.56 174.05 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.96 -167.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.84 -36.03 79.99 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.46 134.01 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.894 175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.76 168.7 35.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -170.2 -177.71 2.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 110.537 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.5 m 46.07 72.22 1.31 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.4 Cg_exo -65.24 -175.49 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.501 2.134 . . . . 0.0 112.497 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.5 t0 94.13 61.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.02 -46.84 2.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.033 0.444 . . . . 0.0 110.276 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 92.0 mt -64.43 -49.05 73.69 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.748 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 71.6 Cg_endo -73.59 -20.73 20.12 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.158 1.905 . . . . 0.0 112.027 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -66.98 -50.85 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.78 -40.65 88.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.801 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -53.29 -48.18 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.56 -46.15 84.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.501 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.84 89.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.636 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.81 -35.35 79.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.195 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 85.4 mmm -69.76 -33.62 72.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.813 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.62 -47.6 83.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 173.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.56 -40.79 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.924 0.392 . . . . 0.0 110.253 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.93 -51.96 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.455 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.9 p -58.15 -31.23 67.03 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.632 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.67 -52.09 34.84 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.463 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -114.6 -27.9 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -161.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.44 103.3 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.92 0.391 . . . . 0.0 110.634 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -80.72 78.06 7.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.46 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.3 140.33 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.356 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -94.21 157.4 16.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.577 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.21 -14.37 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.64 0.257 . . . . 0.0 110.568 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.34 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.39 -14.54 14.41 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.568 0.223 . . . . 0.0 110.793 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -88.82 123.02 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.835 0.35 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.403 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 77.5 ttt-85 -92.67 120.31 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.406 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.8 mt -117.95 113.55 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.44 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -142.5 128.62 19.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.197 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -103.61 138.45 40.26 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -120.85 132.12 54.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.201 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -107.34 134.48 50.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.6 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -139.73 108.89 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.435 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 51.54 -116.3 0.98 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 -172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.7 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.9 ttt -118.95 134.91 54.88 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.0 0.429 . . . . 0.0 110.514 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -126.57 133.46 51.08 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.877 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.12 137.59 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.526 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -111.58 126.19 54.74 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.153 0.501 . . . . 0.0 109.963 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.47 123.26 47.16 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.247 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.459 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 59.6 mt -121.07 105.39 10.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.911 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 83.2 m-20 -103.55 121.94 43.92 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.851 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 71.1 mt -120.24 127.22 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -171.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -109.61 123.23 49.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.243 0.726 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.178 -176.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' B' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' B' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.704 ' OD1' ' HA2' ' B' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.694 ' HA2' ' OD1' ' B' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -75.88 147.58 38.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' ALA . 47.9 tp -58.02 -38.44 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.61 -44.92 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.4 -36.33 77.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 6' ' ' LEU . 95.8 mt -69.69 -48.15 60.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.9 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.58 -37.69 84.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.857 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -109.91 32.67 4.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.617 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.52 -2.97 81.76 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -99.62 68.89 1.59 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.13 0.491 . . . . 0.0 110.638 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.08 -165.11 0.13 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.288 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -78.89 130.58 35.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.246 0.545 . . . . 0.0 110.201 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -72.17 -48.42 43.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.146 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.33 -154.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.166 0.508 . . . . 0.0 111.254 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.25 129.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.74 -176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -65.48 128.92 37.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.89 -52.2 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.437 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.48 31.58 14.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -142.22 155.3 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.694 ' OD1' ' HA2' ' A' ' 34' ' ' GLY . 95.8 m-20 -93.43 138.17 32.0 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.748 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -120.87 128.62 52.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.9 tp -116.27 124.79 51.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.834 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -123.85 110.96 15.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.735 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.6 mt -119.72 124.03 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.244 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -117.56 117.98 56.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.885 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 84.0 mt -114.37 111.74 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.616 ' HB2' HD23 ' A' ' 3' ' ' LEU . . . -104.94 132.02 51.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.997 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -150.08 109.97 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.31 134.15 54.11 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -138.61 37.13 2.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.04 -167.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.0 -35.44 73.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.013 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -77.16 113.63 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.957 171.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' OD1' ' A' ' 20' ' ' ASP . . . 154.91 171.68 21.89 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -152.88 162.63 41.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.6 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.6 m 46.31 71.69 1.49 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.805 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 46.6 Cg_exo -59.09 170.19 3.08 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.545 2.163 . . . . 0.0 112.502 174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 29.8 t0 93.66 64.09 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 172.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.71 -44.17 2.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.09 0.471 . . . . 0.0 110.309 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 90.3 mt -68.03 -51.35 27.87 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 -172.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.2 Cg_endo -73.54 -25.89 14.59 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.172 1.915 . . . . 0.0 112.069 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.4 m -63.22 -49.09 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.93 172.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.85 -32.08 67.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -57.62 -48.0 80.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.28 -43.32 95.16 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.439 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.09 88.2 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.058 0.456 . . . . 0.0 110.63 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.02 -41.93 99.68 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.157 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.7 ttp -55.37 -52.54 63.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.821 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.38 -49.03 75.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.288 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.76 -48.75 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 55' ' ' VAL . 89.6 mt -69.43 -37.43 77.41 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.426 -173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.07 -29.55 69.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.646 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.44 -43.93 96.33 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.424 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.4 -8.3 20.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.288 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' LEU . 64.3 t -130.77 105.95 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 110.608 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -81.38 72.36 8.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.421 -172.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.31 156.65 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.354 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.1 t -80.66 154.6 27.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.12 -25.54 67.79 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.656 0.265 . . . . 0.0 110.633 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.72 -17.69 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -97.95 8.19 45.14 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.827 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 43.3 mm -98.27 125.44 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -99.71 116.16 31.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.43 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 89.4 mt -124.55 127.3 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.51 131.98 26.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.258 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -113.59 126.97 55.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.28 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -103.23 125.48 49.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.213 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -101.35 134.81 43.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -146.29 108.21 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.406 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 52.9 -115.38 0.94 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.678 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.14 26.6 14.72 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 26.9 ttt -131.28 131.23 43.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.485 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.59 147.45 43.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.942 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -125.13 134.96 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.52 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.1 tp -104.71 122.04 44.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.6 120.36 42.16 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.248 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.8 tp -120.56 126.32 50.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -131.27 117.5 19.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.916 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 86.6 mt -122.72 136.12 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.59 130.39 56.71 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.243 0.713 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.2 178.36 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' B' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.614 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -75.9 149.57 37.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.49 -41.45 73.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.98 -29.81 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.28 -35.26 77.6 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 6' ' ' LEU . 96.6 mt -69.31 -44.87 70.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.957 173.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.68 -36.42 76.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.888 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -114.05 32.63 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.552 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.51 -16.95 63.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.95 68.21 1.26 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.168 0.509 . . . . 0.0 110.594 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.97 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.295 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.14 131.47 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.212 0.529 . . . . 0.0 110.24 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -84.02 -33.05 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.17 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.8 t 35.68 -153.62 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.151 0.501 . . . . 0.0 111.261 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.51 128.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -176.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.5 m -90.71 125.38 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.234 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.75 -43.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.64 32.53 13.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.529 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -138.9 155.52 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.21 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.07 131.43 46.18 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.757 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -121.9 96.63 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 tt -112.71 128.0 56.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.852 -173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -126.09 125.34 42.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -116.28 123.64 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.265 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.9 mm -103.88 114.2 42.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.816 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -105.2 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.318 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.28 147.19 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.985 0.421 . . . . 0.0 109.937 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -159.49 136.26 9.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.575 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -83.44 107.03 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -136.45 62.44 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.61 163.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.935 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -54.54 -30.64 54.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -47.33 109.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.871 -177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.63 177.33 14.82 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -143.28 -168.59 2.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.524 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.9 m 46.3 73.23 1.03 Allowed Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 31.9 Cg_exo -64.2 -176.93 0.42 Allowed 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.54 2.16 . . . . 0.0 112.452 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.2 t0 94.6 62.79 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -120.3 -46.92 2.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 56.7 tp -65.98 -52.39 40.72 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 55.0 Cg_endo -69.54 -25.55 29.52 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 122.108 1.872 . . . . 0.0 112.076 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.1 m -65.94 -53.02 44.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.68 -35.73 75.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -58.49 -50.16 74.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.91 -53.65 52.82 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.432 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.56 94.82 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.705 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.417 ' C ' HD23 ' B' ' 47' ' ' LEU . 10.5 tt -65.68 -48.42 72.11 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.17 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.4 -34.49 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.72 -53.76 53.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.18 -25.26 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.21 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.1 tp -64.26 -51.29 64.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.417 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -68.75 -26.45 65.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.669 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -45.24 91.37 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.466 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -103.91 -11.33 17.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.24 108.93 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.05 73.08 6.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.382 -171.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -124.17 139.95 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.356 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -91.64 154.27 19.14 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.69 -26.57 67.22 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.63 0.252 . . . . 0.0 110.578 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -67.2 -21.33 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -106.01 14.45 27.85 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.609 0.242 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -117.81 133.04 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.838 0.351 . . . . 0.0 110.992 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 66.0 ttp85 -99.83 119.93 38.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.459 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -117.41 116.8 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -140.35 138.91 35.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.266 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -117.17 131.6 56.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.219 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -110.2 130.1 55.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.188 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.3 134.82 49.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -149.91 111.47 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.398 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.07 -118.23 1.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.712 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.29 27.69 16.18 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttt -126.68 138.94 53.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.547 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -117.81 141.96 47.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.877 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.74 124.63 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.431 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -113.92 124.53 52.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.21 0.529 . . . . 0.0 109.972 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -106.62 129.64 54.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.244 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -117.67 115.13 24.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.943 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.447 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 65.1 t-20 -99.78 107.1 19.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.858 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mm -106.63 115.26 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.4 m -111.47 129.79 55.92 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.735 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.173 -178.694 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 1.516 ' NH2' ' CD1' ' A' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' HD13 ' A' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.516 ' CD1' ' NH2' ' A' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -90.79 148.47 22.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.658 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.415 ' C ' HD23 ' B' ' 3' ' ' LEU . 10.4 tt -52.03 -38.93 58.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -63.98 -26.95 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.3 -21.58 61.32 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.87 -44.43 16.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.945 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.12 -40.86 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -109.57 32.59 4.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.543 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.43 -20.39 60.38 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 68.61 1.27 Allowed 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.171 0.51 . . . . 0.0 110.581 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.13 -165.22 0.13 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.299 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.54 130.59 35.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.217 0.532 . . . . 0.0 110.229 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.04 -30.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.239 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.84 -153.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.205 0.526 . . . . 0.0 111.223 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.2 m -99.84 125.1 45.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.76 -42.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 31.63 15.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.498 177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -142.08 145.58 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.22 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.02 131.19 47.79 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.791 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -127.08 144.3 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 50.0 tp -136.36 127.19 27.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.773 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -118.85 131.69 56.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.751 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -123.28 120.4 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 38.7 mm -105.52 119.41 54.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.846 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 46.3 mm -106.72 118.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.9 101.5 7.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 110.005 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -124.88 124.1 41.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.571 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -83.56 125.83 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 53.2 ptt85 -140.01 38.51 1.96 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.922 0.391 . . . . 0.0 110.577 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 160.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.991 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -61.58 -34.64 75.95 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 -171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.98 123.41 14.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.886 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.73 -166.61 14.48 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -158.08 162.84 38.09 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.567 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 6.0 m 62.0 57.9 2.86 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 85.4 Cg_endo -71.29 -173.78 1.03 Allowed 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.568 2.179 . . . . 0.0 112.476 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 28.6 t0 93.35 63.38 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -122.71 -23.77 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.271 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.48 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 60.7 tp -61.64 -50.7 81.06 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.746 -177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 60.2 Cg_endo -71.76 -20.68 26.02 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.084 1.856 . . . . 0.0 112.028 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.3 m -69.42 -46.3 67.13 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.985 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -43.72 96.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.764 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.495 ' NH2' ' CD1' ' B' ' 64' ' ' ILE . 79.8 ttt180 -55.5 -49.86 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -62.02 -37.69 85.86 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.82 94.58 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 110.722 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.3 -42.36 88.42 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.171 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.443 ' CE ' HD13 ' B' ' 59' ' ' LEU . 92.2 mtp -58.24 -39.24 78.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.79 -55.76 15.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.233 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.68 -30.49 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.911 0.386 . . . . 0.0 110.215 -169.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.65 -37.66 76.43 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.43 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -66.14 -21.6 66.34 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.653 -171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.13 -40.22 84.76 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -129.22 2.86 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.304 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.814 HG11 HD11 ' B' ' 79' ' ' ILE . 57.5 t -123.06 105.04 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.922 0.392 . . . . 0.0 110.677 174.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -82.87 61.27 5.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.412 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.5 t -136.31 141.09 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.365 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.443 HD13 ' CE ' ' B' ' 48' ' ' MET . 97.2 mt -71.38 -14.04 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.06 -16.43 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -93.37 6.33 48.49 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.565 0.221 . . . . 0.0 110.749 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.6 mm -75.49 128.56 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.868 0.366 . . . . 0.0 110.957 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 80.1 ttt180 -99.04 124.18 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.358 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 1.495 ' CD1' ' NH2' ' B' ' 44' ' ' ARG . 84.7 mt -117.41 127.1 74.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.478 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -133.42 104.9 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.231 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.26 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -124.15 147.42 47.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.199 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.8 140.47 40.84 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.636 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -141.62 94.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.397 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 58.49 -106.88 0.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.729 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -110.74 14.36 29.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 27.6 ttt -129.93 131.73 46.09 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.549 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -115.49 149.67 37.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.875 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.8 m -126.72 148.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.515 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -141.77 129.44 21.55 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.208 0.527 . . . . 0.0 109.928 -174.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -106.78 130.8 54.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.243 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -113.01 139.56 48.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.909 172.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 70.0 m-80 -128.79 130.87 47.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.873 173.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.814 HD11 HG11 ' B' ' 55' ' ' VAL . 20.6 tt -137.96 144.35 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -129.6 135.09 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.242 0.704 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.223 -177.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.598 HD11 HD13 ' B' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' B' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.6 HD13 HD11 ' B' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' A' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.241 ' CB ' HG21 ' B' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.243 HG21 ' CB ' ' B' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -90.61 156.13 18.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.715 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 7' ' ' LEU . 96.3 mt -61.94 -32.06 72.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 4' ' ' ILE . 9.5 tp -75.25 -31.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -67.7 -36.05 79.93 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 6' ' ' LEU . 93.9 mt -63.68 -41.94 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.917 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 3' ' ' LEU . 61.0 tp -59.26 -45.02 92.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.875 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -99.86 25.82 6.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.534 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 1.69 46.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -77.36 81.03 3.85 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.17 0.51 . . . . 0.0 110.622 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 76.9 mtm 56.18 -164.98 0.13 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.236 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -77.2 125.37 29.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 110.207 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 -35.89 20.79 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.127 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.47 -153.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.187 0.517 . . . . 0.0 111.252 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.24 128.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 0.0 110.755 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -96.33 118.21 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.65 -50.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.47 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.99 32.0 15.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.521 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.69 152.65 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.309 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -68.74 123.87 22.12 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.827 173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -127.83 143.46 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.424 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.5 mp -123.32 139.28 54.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.769 174.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -131.56 117.0 18.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.687 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.7 122.83 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.275 -174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.12 116.16 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.842 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -117.78 116.9 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.323 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.87 135.75 39.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.04 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -129.72 110.17 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.589 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.17 136.97 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 47.3 ptt85 -163.07 44.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.606 173.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.59 -178.58 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.0 171.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -55.76 -34.83 65.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 111.025 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.09 115.38 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.924 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.59 157.43 11.34 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.754 -0.939 . . . . 0.0 110.754 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.464 ' O ' ' HB ' ' B' ' 36' ' ' THR . 15.8 pt20 -152.13 171.37 18.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -176.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 35' ' ' GLN . 74.1 m 74.1 87.09 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.864 173.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 33.7 Cg_exo -59.43 -159.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.535 2.157 . . . . 0.0 112.458 172.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 31.6 t0 93.71 62.85 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -141.04 -56.99 0.5 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.065 0.459 . . . . 0.0 110.315 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 77.8 mt -57.94 -51.51 81.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.732 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 47.7 Cg_endo -69.31 -25.37 30.76 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.094 1.863 . . . . 0.0 111.989 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -67.21 -49.51 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.977 175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.99 -30.2 63.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.732 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' B' ' 64' ' ' ILE . 63.1 ttp180 -60.56 -47.39 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 173.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.44 -41.26 93.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.476 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 1.243 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -61.12 -45.9 92.78 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.2 -41.68 98.58 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.122 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -58.22 -48.61 79.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.876 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.11 -53.45 57.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 1.241 HG21 ' CB ' ' A' ' 46' ' ' ALA . 71.8 t -64.49 -46.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.234 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.59 -54.1 50.41 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.427 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 99.8 p -68.79 -27.79 66.19 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.646 -173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.84 -52.49 59.89 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.426 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.04 -12.75 22.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.411 -171.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -137.39 125.91 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.885 0.374 . . . . 0.0 110.666 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -72.21 82.72 1.01 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -108.24 123.17 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.414 . . . . 0.0 110.306 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -76.99 149.56 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.518 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -59.7 -30.46 68.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.674 0.273 . . . . 0.0 110.621 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.15 -18.77 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -100.32 7.58 44.27 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.619 0.247 . . . . 0.0 110.803 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.0 mt -110.55 108.68 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.903 0.382 . . . . 0.0 110.95 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.5 ttt180 -99.2 126.09 44.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.403 175.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' B' ' 44' ' ' ARG . 82.9 mt -119.72 121.28 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.4 t -131.14 104.63 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.284 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -103.72 115.1 29.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.273 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -121.06 -179.55 4.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.162 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -121.73 149.9 42.59 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -139.45 97.93 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.399 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 57.19 -109.88 0.51 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.668 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.95 23.89 31.0 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 24.8 ptp -149.36 167.62 25.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.429 . . . . 0.0 110.54 175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -101.58 164.01 11.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.807 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.55 129.83 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.531 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -117.33 123.48 46.61 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.166 0.508 . . . . 0.0 110.019 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.5 123.12 49.34 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -114.34 138.24 50.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.923 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 39.1 t-20 -131.21 109.32 10.33 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.841 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 35.6 mm -107.6 127.28 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -101.74 129.3 47.88 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.243 0.758 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.181 178.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -92.02 163.98 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.643 -176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.403 ' C ' HD13 ' B' ' 3' ' ' LEU . 2.8 tm? -66.68 -47.11 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' B' ' 4' ' ' ILE . 1.2 mp -60.53 -38.66 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.49 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -56.31 -42.21 77.25 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.2 -39.77 95.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.951 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.85 -33.86 74.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.933 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -111.25 29.55 7.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.09 -19.64 55.12 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -79.65 68.77 5.8 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.152 0.501 . . . . 0.0 110.635 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 56.23 -165.27 0.13 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.291 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -80.67 128.5 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.24 0.543 . . . . 0.0 110.181 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -84.95 -31.58 23.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.185 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 8.9 t 35.32 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.113 0.482 . . . . 0.0 111.262 -177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.31 129.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.759 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -79.47 129.92 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.02 -54.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.58 34.94 14.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -137.34 152.35 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.351 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.72 143.79 34.24 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.765 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.02 128.52 22.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.11 146.18 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.777 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.61 116.44 17.38 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.704 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -121.05 113.97 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.262 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.86 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.7 mt -115.77 105.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.351 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 131.94 52.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.033 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.0 119.43 16.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -74.33 117.21 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 170.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 30' ' ' ARG . 54.1 ptt85 -139.38 37.97 2.07 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.602 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.8 163.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.968 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.821 0.344 . . . . 0.0 111.003 -173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.13 123.78 15.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.926 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.06 -154.38 16.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.76 -178.29 2.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.536 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 14.0 m 46.14 71.66 1.49 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.776 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 27.4 Cg_exo -66.37 -175.71 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.544 2.163 . . . . 0.0 112.489 175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 21.9 t0 93.47 63.61 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 172.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -120.29 -44.74 2.47 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.108 0.48 . . . . 0.0 110.232 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 57.8 tp -64.19 -51.49 61.69 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.743 -177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -71.68 -23.33 22.98 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.164 1.91 . . . . 0.0 112.096 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -66.64 -48.81 68.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.971 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 tp -65.39 -42.48 92.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -52.25 -50.53 61.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.666 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.75 -46.33 87.69 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.543 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.34 94.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.965 0.412 . . . . 0.0 110.637 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.82 -42.95 99.66 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 38.2 mmt -65.28 -36.22 83.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.817 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.14 -46.73 79.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.231 175.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.79 -45.6 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.213 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.2 -55.59 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 91.5 p -68.92 -28.16 66.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.617 -171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -61.63 -55.58 29.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.463 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -92.23 -24.31 19.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.234 -168.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.425 HG12 HG23 ' B' ' 57' ' ' VAL . 41.6 t -135.41 127.4 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -75.09 80.24 2.25 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.464 -175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.425 HG23 HG12 ' B' ' 55' ' ' VAL . 90.1 t -112.25 134.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.349 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -88.61 142.7 27.47 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.68 -27.71 69.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.585 0.231 . . . . 0.0 110.541 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.22 -15.96 63.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -100.56 11.91 38.46 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.59 0.233 . . . . 0.0 110.803 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -111.88 126.26 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 120.821 0.344 . . . . 0.0 110.956 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -95.82 123.3 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.394 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 pt -119.78 148.22 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.473 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 t -162.19 141.43 9.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.229 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -126.22 126.12 43.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.87 146.36 37.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -115.72 143.17 45.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.653 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -150.99 108.8 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.382 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.59 -118.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.638 -170.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.59 24.93 25.95 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -128.01 135.93 50.56 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.98 0.419 . . . . 0.0 110.57 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -116.4 158.8 22.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.879 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 8.1 p -138.42 138.92 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.518 171.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -112.02 126.56 55.28 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.209 0.528 . . . . 0.0 109.979 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -104.45 120.72 41.89 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.332 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.16 108.55 13.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.923 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.37 108.81 19.94 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.889 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 81.1 mt -103.86 122.11 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.6 m -111.39 132.65 54.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.243 0.737 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.215 178.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -93.16 157.74 16.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.664 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.6 ' C ' HD13 ' B' ' 3' ' ' LEU . 3.4 tm? -65.65 -50.98 62.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.11 -29.88 48.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.495 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.27 -46.29 90.35 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.2 -44.0 97.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.937 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.09 -42.09 72.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.928 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -111.83 32.91 5.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.579 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.94 -11.76 64.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.37 59.82 5.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.142 0.496 . . . . 0.0 110.604 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.71 -164.62 0.13 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.315 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -88.66 152.45 21.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.234 0.54 . . . . 0.0 110.258 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.59 -27.96 12.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.155 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 43.0 p 37.66 -153.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.174 0.511 . . . . 0.0 111.228 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 63.26 129.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.357 . . . . 0.0 110.754 -175.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 97.9 m -76.73 132.02 39.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.2 t -102.85 -54.07 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.94 34.18 16.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.96 157.48 45.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.289 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -83.62 127.81 34.04 Favored 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.775 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -122.28 140.36 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -131.98 133.82 44.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.782 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -130.43 117.39 19.61 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.748 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.52 131.34 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.236 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -117.02 129.66 73.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.789 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -118.16 109.24 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.313 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.19 141.53 46.85 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.031 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -153.81 139.94 18.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.72 131.22 45.79 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -129.56 27.85 5.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.574 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.0 174.38 3.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.947 174.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.06 -35.21 72.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 111.013 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.43 126.27 26.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.934 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.7 163.17 12.4 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -143.75 -171.73 3.59 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.556 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 13.3 m 46.06 71.93 1.4 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.848 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 50.7 Cg_exo -58.96 171.64 2.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.496 2.131 . . . . 0.0 112.527 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 32.3 t0 94.2 62.76 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -119.87 -44.58 2.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 110.244 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.418 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 83.2 mt -64.72 -50.63 63.21 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 -175.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 74.1 Cg_endo -74.96 -20.31 17.08 Favored 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 122.144 1.896 . . . . 0.0 112.071 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.3 m -67.57 -46.61 72.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.001 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -70.15 -33.54 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -60.88 -47.23 87.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -56.4 -49.33 74.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.422 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.34 87.17 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 110.601 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.97 -49.8 76.27 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.147 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 33.1 mmt -63.19 -38.03 89.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.855 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.56 -55.43 23.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.29 -44.5 72.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.12 -50.55 72.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.384 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -67.41 -24.86 65.7 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.684 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.69 -44.01 97.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.481 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -104.87 -8.93 18.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 77.7 t -130.21 109.24 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 120.916 0.389 . . . . 0.0 110.669 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.47 74.53 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.407 -169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.7 134.47 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.957 0.408 . . . . 0.0 110.334 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.549 -172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.13 -37.37 71.91 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.602 0.239 . . . . 0.0 110.569 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.85 -17.49 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -104.36 10.81 35.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.617 0.246 . . . . 0.0 110.8 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 98.7 mt -107.43 125.8 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -99.28 123.35 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.405 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -130.1 129.19 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.48 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.1 t -146.09 124.29 12.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -102.27 143.33 32.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.173 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -137.99 134.33 34.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.32 143.98 29.87 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.566 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -141.27 98.28 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.11 -105.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.708 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.64 14.37 22.4 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 58.2 ttm -135.81 137.65 41.78 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.95 0.405 . . . . 0.0 110.57 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -113.98 149.9 34.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.913 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.03 151.23 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.466 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.0 tp -126.03 124.38 40.53 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 109.975 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -115.28 124.6 51.75 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.264 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.82 149.62 49.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.93 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -140.36 123.76 16.94 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.815 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.75 132.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 93.5 m -120.38 121.17 37.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.242 0.71 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.183 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.858 HD13 ' OE1' ' B' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.46 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.879 ' OE1' HD13 ' B' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -74.2 148.75 41.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -54.61 -40.48 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.879 HD13 ' OE1' ' A' ' 69' ' ' GLN . 96.1 mt -60.48 -45.1 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.23 -37.94 81.89 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.61 -51.05 64.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.892 176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.82 -34.7 77.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -112.68 32.37 5.69 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.561 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.8 11.71 64.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -100.14 63.89 1.18 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.135 0.493 . . . . 0.0 110.606 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.2 mtm 55.66 -165.03 0.12 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.272 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -89.96 132.55 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.257 0.551 . . . . 0.0 110.181 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.9 -34.66 20.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.25 -154.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.126 0.489 . . . . 0.0 111.187 -177.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.29 129.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 110.792 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.0 m -85.93 122.95 30.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.255 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.14 -49.49 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.461 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.4 33.21 16.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.517 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -139.83 155.68 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.274 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -92.61 125.64 37.33 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -137.14 122.79 19.79 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.0 tp -115.22 123.67 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.805 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.42 115.75 30.54 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.658 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.02 126.04 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 -173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 45.4 mm -109.5 125.1 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.862 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.64 97.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.358 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.78 109.05 21.05 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -125.79 94.19 4.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.538 -175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.24 135.96 56.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -160.82 45.11 0.19 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.972 0.415 . . . . 0.0 110.579 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -166.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.95 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.95 -36.94 75.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.773 0.321 . . . . 0.0 111.023 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.47 100.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.878 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 111.4 3.09 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -98.87 -177.01 3.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.933 0.397 . . . . 0.0 110.518 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' B' ' 37' ' ' PRO . 6.7 m 64.66 64.98 1.08 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.783 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 39.5 Cg_exo -66.0 -175.59 0.51 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.5 2.134 . . . . 0.0 112.488 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 30.9 t0 93.71 63.28 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 171.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -122.67 -24.75 4.82 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.077 0.465 . . . . 0.0 110.231 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 89.3 mt -62.99 -46.2 87.05 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.765 -174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 67.4 Cg_endo -74.84 -21.44 16.23 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.215 1.943 . . . . 0.0 112.02 -176.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.3 p -76.07 -35.88 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.56 -31.45 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.752 173.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.95 -47.42 83.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -61.24 -42.16 98.14 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.507 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.4 99.2 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.036 0.446 . . . . 0.0 110.686 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.21 -48.22 79.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.135 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.42 -41.99 95.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -69.54 -45.72 68.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.235 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.62 -47.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.234 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.37 -45.38 93.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.443 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.0 m -56.35 -38.68 71.73 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.652 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -72.33 -49.99 30.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.455 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -87.29 -36.84 17.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.279 -162.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.59 129.94 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.622 -168.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -79.85 70.67 6.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.416 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.99 141.2 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.355 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -93.74 154.29 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.576 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.75 -30.96 69.21 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.9 -18.0 63.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.0 8.56 42.96 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.537 0.208 . . . . 0.0 110.755 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.8 mt -108.67 120.96 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 69.5 ttp85 -86.96 127.98 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.373 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.3 mt -128.31 128.51 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.486 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -139.52 126.54 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.271 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -107.66 110.31 22.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -101.9 117.88 35.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.226 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.19 138.61 42.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.616 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.858 ' OE1' HD13 ' A' ' 4' ' ' ILE . 69.0 tp60 -147.67 112.39 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 63.01 -99.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.649 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.43 32.66 3.04 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.0 ttt -122.04 137.6 54.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.046 0.45 . . . . 0.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -123.58 115.88 22.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.854 -174.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.1 t -111.4 128.95 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 67.4 tp -107.78 120.6 42.7 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.198 0.523 . . . . 0.0 110.002 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -105.37 118.83 37.56 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.296 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.6 mt -120.29 150.0 41.4 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.936 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 15.9 t-20 -143.85 114.87 7.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.846 172.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.67 105.66 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -107.24 132.75 52.73 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.432 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.6 tt . . . . . 0 C--O 1.243 0.729 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.142 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.066 ' CE ' HD11 ' B' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.076 HD11 ' CE ' ' B' ' 1' ' ' MET . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 HD11 HD21 ' B' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD21 HD11 ' B' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 1.076 ' CE ' HD11 ' A' ' 6' ' ' LEU . 99.7 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -66.03 148.47 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.618 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.1 -33.84 75.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.804 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.68 -45.93 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -57.24 -39.71 76.11 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.066 HD11 ' CE ' ' A' ' 1' ' ' MET . 63.2 tp -62.36 -47.64 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.969 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.5 HD23 ' C ' ' B' ' 7' ' ' LEU . 7.5 tt -54.86 -47.0 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.85 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -91.74 16.01 11.61 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.86 -9.46 71.2 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.53 69.19 1.63 Allowed 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.15 0.5 . . . . 0.0 110.661 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.1 mtm 56.08 -165.25 0.13 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.305 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -81.82 130.55 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -85.25 -37.49 20.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.122 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.8 t 35.4 -153.75 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.148 0.499 . . . . 0.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.448 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.53 128.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 0.0 110.784 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 93.2 m -67.21 130.81 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.22 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.47 -53.84 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.83 34.93 16.84 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.44 174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -138.64 152.66 48.27 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.267 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -95.5 111.32 23.25 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.769 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -114.06 139.43 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 5.3 mp -121.55 140.54 52.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.789 174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -132.79 115.56 15.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.723 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 116.85 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 36.7 mm -109.65 114.86 48.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.859 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -113.55 115.94 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.295 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.06 133.53 40.21 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.017 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -144.5 123.12 12.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.34 135.94 52.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -132.87 26.83 4.3 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.951 0.405 . . . . 0.0 110.575 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.72 169.09 13.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.956 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -59.4 -33.51 71.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.792 0.33 . . . . 0.0 111.023 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -76.12 98.04 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.881 177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.07 -176.66 45.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.78 158.22 30.75 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.9 0.381 . . . . 0.0 110.584 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m 45.76 71.11 1.66 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.803 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 38.3 Cg_exo -59.92 172.8 2.07 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.577 2.185 . . . . 0.0 112.447 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 14.2 t0 93.71 62.95 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -114.29 -32.01 6.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.327 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 80.3 mt -63.68 -51.53 65.15 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 71.9 Cg_endo -75.24 -22.86 13.98 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.096 1.864 . . . . 0.0 112.059 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 87.0 m -65.09 -51.72 59.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 111.007 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.45 HD11 HD21 ' A' ' 51' ' ' LEU . 96.7 mt -71.12 -34.78 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.793 178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.3 -53.01 62.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.35 -43.25 78.91 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.483 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.23 97.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 120.985 0.421 . . . . 0.0 110.626 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.97 -41.16 97.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 39.2 mmt -67.33 -39.0 85.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.65 -47.92 79.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.26 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.89 -48.79 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.276 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 43' ' ' LEU . 75.8 mt -64.01 -45.34 89.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.423 -175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -71.43 -30.26 65.84 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.626 -176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.79 -54.59 36.68 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.443 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -93.84 -10.49 33.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.318 -169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.02 128.13 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.916 0.389 . . . . 0.0 110.624 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -72.11 83.07 0.99 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.3 132.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 110.348 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -82.46 149.91 27.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.575 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.22 -22.95 67.2 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.563 0.22 . . . . 0.0 110.522 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.31 -19.81 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -99.14 7.19 46.06 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.62 0.248 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 44.9 mm -102.25 109.73 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 79.4 ttt180 -98.72 123.9 43.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.407 175.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -120.7 121.33 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.465 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -137.54 125.38 22.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -114.08 127.37 55.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.246 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -115.11 127.16 55.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.49 122.71 33.56 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.641 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -120.27 81.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.392 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 64.31 -99.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.658 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.74 0.82 39.15 Favored Glycine 0 N--CA 1.468 0.784 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 52.0 mtt -133.66 150.03 51.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.566 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -115.27 157.18 24.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.875 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 11.1 p -133.65 138.58 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.554 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 58.3 tp -113.86 126.34 55.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.22 0.533 . . . . 0.0 109.956 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.44 120.13 40.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.289 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -115.35 111.0 20.2 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.934 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' B' ' 63' ' ' ARG . 37.4 t-20 -112.82 114.0 26.35 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.861 -177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 5.2 mp -112.12 125.42 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -104.87 126.57 52.07 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.243 0.724 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.209 172.377 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.77 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' B' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.566 ' HB3' ' CE2' ' B' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG23 HG12 ' A' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -93.1 146.67 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.7 -177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp -56.61 -31.68 64.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -27.67 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.474 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.59 -33.3 75.58 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.69 -50.07 14.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.43 -38.23 77.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.863 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -114.72 32.62 5.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.0 -11.68 64.76 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -78.7 68.8 4.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.649 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 77.0 mtm 55.85 -164.68 0.13 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.315 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.5 126.43 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.23 0.538 . . . . 0.0 110.167 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -71.04 -60.7 2.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.111 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' B' ' 15' ' ' ALA . 8.9 t 35.35 -153.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.158 0.504 . . . . 0.0 111.231 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' B' ' 14' ' ' THR . . . 63.72 129.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.782 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -90.06 123.68 34.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.275 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 85.7 t -109.56 -54.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.69 33.48 15.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.519 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.19 138.28 35.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.291 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -72.16 140.29 48.72 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.771 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -134.47 144.4 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 64.3 tp -124.35 118.29 26.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.726 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -122.98 108.03 12.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.685 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 tt -127.3 130.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.279 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 40.2 mm -116.86 128.0 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.842 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -118.29 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.3 14.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.008 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -127.85 121.22 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.604 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -82.78 125.21 31.03 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.77 ' HG3' ' O ' ' B' ' 30' ' ' ARG . 30.1 ptt-85 -158.77 64.62 0.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.892 0.377 . . . . 0.0 110.61 172.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' B' ' 71' ' ' GLY . . . -52.53 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.971 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -53.55 -31.51 46.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 111.053 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -70.85 77.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.929 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.06 174.47 46.81 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -161.02 162.27 31.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.872 0.368 . . . . 0.0 110.539 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m 46.27 70.59 1.96 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 25.9 Cg_exo -65.81 -173.51 0.32 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.559 2.173 . . . . 0.0 112.481 173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 27.9 t0 93.76 63.22 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 171.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 54' ' ' TYR . 42.5 m-85 -129.76 -33.29 1.83 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 68.5 mt -62.31 -47.92 88.5 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.777 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 73.0 Cg_endo -74.91 -18.66 18.77 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.179 1.919 . . . . 0.0 112.086 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -75.2 -34.57 61.51 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.929 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.85 -39.04 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 172.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -57.91 -47.85 81.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.679 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.78 -43.38 94.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.449 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.86 91.34 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.024 0.44 . . . . 0.0 110.645 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.34 -44.78 96.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.213 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.1 mtp -59.85 -48.29 82.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.885 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -58.67 -58.89 6.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.85 -42.8 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 -172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.48 -51.42 67.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.375 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -67.39 -30.69 70.54 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.618 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.44 -39.9 89.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.459 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 77.7 m-85 -103.22 -23.32 13.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.307 -173.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.423 HG12 HG23 ' B' ' 57' ' ' VAL . 67.1 t -131.69 118.86 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.952 0.406 . . . . 0.0 110.653 -172.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -81.9 78.41 8.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.436 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.423 HG23 HG12 ' B' ' 55' ' ' VAL . 76.0 t -126.35 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 173.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.3 p -88.56 164.5 15.37 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.561 -175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.4 -28.52 69.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.84 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -102.52 13.43 34.54 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.627 0.251 . . . . 0.0 110.839 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -116.75 124.0 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -93.59 125.85 38.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.368 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 82.5 mt -121.46 123.89 70.61 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.0 t -134.52 109.73 8.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -102.31 113.97 27.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.221 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.41 159.76 28.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.192 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -121.53 134.24 55.04 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -132.35 113.57 13.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t70 51.12 -117.85 1.17 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.622 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' B' ' 31' ' ' ALA . . . -105.83 25.15 24.95 Favored Glycine 0 N--CA 1.468 0.78 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 53.6 ttm -125.48 138.65 54.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.046 0.45 . . . . 0.0 110.545 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -105.15 134.12 48.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.842 174.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.2 130.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.551 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 tp -121.76 125.15 45.89 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.197 0.522 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -102.46 120.31 40.3 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.276 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.73 103.62 9.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.969 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -101.97 116.15 32.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.827 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' B' ' 22' ' ' LEU . 31.2 mm -98.28 109.51 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -96.36 136.93 36.17 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.449 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.3 tt . . . . . 0 C--O 1.243 0.755 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.169 -177.922 . . . . . . . . 1 1 . 1 stop_ save_